4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

C51H36ClF4N11O7 — CID 123951006

IUPAC4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
SMILESCOc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1
InChIInChI=1S/C18H14FN3O2.C17H13FN4O3.C16H9ClF2N4O2/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-24-13-2-3-21-16(7-13)17(23)22-12-4-11(18)5-14(6-12)25-15-8-19-10-20-9-15;17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11/h2-11H,1H3,(H,22,23);2-10H,1H3,(H,22,23);1-8H,(H,23,24)
InChIKeyIAWAVCICGWQXAO-UHFFFAOYSA-N
MW1026.36 g/mol
LogP10.88
Rot. Bonds13

About 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide

4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (PubChem CID 123951006) has the molecular formula C51H36ClF4N11O7 and a molecular weight of 1026.36 g/mol. Its IUPAC name is 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
PubChem CID123951006
Molecular FormulaC51H36ClF4N11O7
Molecular Weight1026.36 g/mol
Exact Mass1025.24
IUPAC Name4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide
SMILESCOc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1
InChIInChI=1S/C18H14FN3O2.C17H13FN4O3.C16H9ClF2N4O2/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-24-13-2-3-21-16(7-13)17(23)22-12-4-11(18)5-14(6-12)25-15-8-19-10-20-9-15;17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11/h2-11H,1H3,(H,22,23);2-10H,1H3,(H,22,23);1-8H,(H,23,24)
InChIKeyIAWAVCICGWQXAO-UHFFFAOYSA-N
XLogP10.88
TPSA227.34 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001026.36
LogP ≤ 510.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide with MolForge

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Related Compounds

4-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
CID 52913681
4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
CID 58337561
6-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
CID 58337680
6-chloro-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
CID 58337754
N-(2,6-difluorophenyl)-3-[(1E)-1-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]-1-(4-methyl-2-methylidene-1-pyridinyl)buta-1,3-dien-2-yl]benzamide
CID 89330632
3-chloro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714018
4-chloro-3-fluoro-N-[3-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;4-chloro-N-[3-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714186
4-chloro-3-fluoro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;4-chloro-N-[4-fluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714278
4-chloro-3-fluoro-N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;4-chloro-N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714284
4-chloro-3-fluoro-N-[2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;4-chloro-N-[2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714331
4-chloro-N-[2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;N-[2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714430
3-chloro-N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]benzamide;N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide
CID 89714434

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The IUPAC name of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide (CID 123951006) is 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The canonical SMILES for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is COc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)c(F)c(Oc2cncnc2)c1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
The InChIKey is IAWAVCICGWQXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2.C17H13FN4O3.C16H9ClF2N4O2/c1-12-3-2-4-13(5-12)18(23)22-15-6-14(19)7-16(8-15)24-17-9-20-11-21-10-17;1-24-13-2-3-21-16(7-13)17(23)22-12-4-11(18)5-14(6-12)25-15-8-19-10-20-9-15;17-9-1-2-22-13(3-9)16(24)23-10-4-12(18)15(19)14(5-10)25-11-6-20-8-21-7-11/h2-11H,1H3,(H,22,23);2-10H,1H3,(H,22,23);1-8H,(H,23,24).
What are the key properties of 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide?
4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide has a molecular weight of 1026.36 g/mol, XLogP of 10.88, 13 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 123951006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).