8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

C55H42ClF3N12O5 — CID 159127065

IUPAC8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(-c3ccc(N4CCOCC4)cc3)c2n1.NC(=O)c1ccc2cncc(-c3ccc(OC(F)(F)F)cc3)c2n1.O=C(NCc1ccncn1)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H14ClN5O.C19H18N4O2.C16H10F3N3O2/c21-15-4-1-13(2-5-15)17-11-23-9-14-3-6-18(26-19(14)17)20(27)24-10-16-7-8-22-12-25-16;20-19(24)17-6-3-14-11-21-12-16(18(14)22-17)13-1-4-15(5-2-13)23-7-9-25-10-8-23;17-16(18,19)24-11-4-1-9(2-5-11)12-8-21-7-10-3-6-13(15(20)23)22-14(10)12/h1-9,11-12H,10H2,(H,24,27);1-6,11-12H,7-10H2,(H2,20,24);1-8H,(H2,20,23)
InChIKeyKGKLGYLZDOYHOE-UHFFFAOYSA-N
MW1043.47 g/mol
LogP9.20
Rot. Bonds10

About 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide

8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 159127065) has the molecular formula C55H42ClF3N12O5 and a molecular weight of 1043.47 g/mol. Its IUPAC name is 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID159127065
Molecular FormulaC55H42ClF3N12O5
Molecular Weight1043.47 g/mol
Exact Mass1042.30
IUPAC Name8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(-c3ccc(N4CCOCC4)cc3)c2n1.NC(=O)c1ccc2cncc(-c3ccc(OC(F)(F)F)cc3)c2n1.O=C(NCc1ccncn1)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C20H14ClN5O.C19H18N4O2.C16H10F3N3O2/c21-15-4-1-13(2-5-15)17-11-23-9-14-3-6-18(26-19(14)17)20(27)24-10-16-7-8-22-12-25-16;20-19(24)17-6-3-14-11-21-12-16(18(14)22-17)13-1-4-15(5-2-13)23-7-9-25-10-8-23;17-16(18,19)24-11-4-1-9(2-5-11)12-8-21-7-10-3-6-13(15(20)23)22-14(10)12/h1-9,11-12H,10H2,(H,24,27);1-6,11-12H,7-10H2,(H2,20,24);1-8H,(H2,20,23)
InChIKeyKGKLGYLZDOYHOE-UHFFFAOYSA-N
XLogP9.20
TPSA240.10 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001043.47
LogP ≤ 59.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[3-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine
CID 163201614
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(3-fluoro-4-morpholino-phenyl)quinazolin-4-amine
CID 163201628
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;7-fluoro-N-(3-fluoro-4-morpholino-phenyl)quinazolin-4-amine
CID 163201652
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[2-fluoro-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]phenyl]methyl]quinazolin-4-amine
CID 163201668
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[[2-morpholino-4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 163201760
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N1-(2-morpholinoethyl)-N4-quinazolin-4-yl-benzene-1,4-diamine
CID 163201761
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N4-(7-fluoroquinazolin-4-yl)-N1-(2-morpholinoethyl)benzene-1,4-diamine
CID 163201762
tert-butyl 9-quinazolin-4-yl-3,9-diazaspiro[5.5]undecane-3-carboxylate;6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 163201815
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-[4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]phenyl]quinazolin-4-amine
CID 163202139
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(4-morpholinophenyl)quinazolin-4-amine
CID 163202180
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;N-(2-morpholinoethyl)quinazolin-4-amine
CID 163202325
6-chloro-2-ethyl-N-[[4-[4-[4-(trifluoromethoxy)phenyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;morpholino-[4-[(quinazolin-4-ylamino)methyl]phenyl]methanone
CID 163202454

Frequently Asked Questions

What is the IUPAC name of 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide (CID 159127065) is 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is NC(=O)c1ccc2cncc(-c3ccc(N4CCOCC4)cc3)c2n1.NC(=O)c1ccc2cncc(-c3ccc(OC(F)(F)F)cc3)c2n1.O=C(NCc1ccncn1)c1ccc2cncc(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is KGKLGYLZDOYHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN5O.C19H18N4O2.C16H10F3N3O2/c21-15-4-1-13(2-5-15)17-11-23-9-14-3-6-18(26-19(14)17)20(27)24-10-16-7-8-22-12-25-16;20-19(24)17-6-3-14-11-21-12-16(18(14)22-17)13-1-4-15(5-2-13)23-7-9-25-10-8-23;17-16(18,19)24-11-4-1-9(2-5-11)12-8-21-7-10-3-6-13(15(20)23)22-14(10)12/h1-9,11-12H,10H2,(H,24,27);1-6,11-12H,7-10H2,(H2,20,24);1-8H,(H2,20,23).
What are the key properties of 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide?
8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 1043.47 g/mol, XLogP of 9.20, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chlorophenyl)-N-(pyrimidin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide;8-(4-morpholin-4-ylphenyl)-1,6-naphthyridine-2-carboxamide;8-[4-(trifluoromethoxy)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 159127065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).