N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane

C28H33ClN4O2 — CID 142083083

IUPACN-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane
SMILESC=C(c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1.CCC
InChIInChI=1S/C25H25ClN4O2.C3H8/c1-18(30-12-14-32-15-13-30)19-6-9-22(10-7-19)27-16-20-4-2-3-5-23(20)25(31)29-24-11-8-21(26)17-28-24;1-3-2/h2-11,17,27H,1,12-16H2,(H,28,29,31);3H2,1-2H3
InChIKeyLFNYSKSYDNSQTG-UHFFFAOYSA-N
MW493.05 g/mol
LogP6.32
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane

N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane (PubChem CID 142083083) has the molecular formula C28H33ClN4O2 and a molecular weight of 493.05 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane
PubChem CID142083083
Molecular FormulaC28H33ClN4O2
Molecular Weight493.05 g/mol
Exact Mass492.23
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane
SMILESC=C(c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1.CCC
InChIInChI=1S/C25H25ClN4O2.C3H8/c1-18(30-12-14-32-15-13-30)19-6-9-22(10-7-19)27-16-20-4-2-3-5-23(20)25(31)29-24-11-8-21(26)17-28-24;1-3-2/h2-11,17,27H,1,12-16H2,(H,28,29,31);3H2,1-2H3
InChIKeyLFNYSKSYDNSQTG-UHFFFAOYSA-N
XLogP6.32
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.05
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane with MolForge

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Related Compounds

N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
Bisanilinopyrimidine, 9l
CID 70702159
3-(2,6-Dichlorophenyl)-1-methyl-7-{[3-(morpholin-4-yl)propyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328710
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(morpholin-4-yl)butyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328711
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(morpholin-4-yl)phenyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328721
PD-173952
CID 5328733
N-{4'-[(Cyclopropylmethyl)carbamoyl]-6-Methylbiphenyl-3-Yl}-2-Morpholin-4-Ylpyridine-4-Carboxamide
CID 24856364
Bisanilinopyrimidine, 9a
CID 70702148
Bisanilinopyrimidine, 9c
CID 70702150
N-(5-chloropyridin-2-yl)-2-(4-(N,N-dimethylcarbamimidoyl)-benzamido)benzamide
CID 10137016
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 11503981
N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]benzamide
CID 11518307

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane (CID 142083083) is N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane is C=C(c1ccc(NCc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1)N1CCOCC1.CCC.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane?
The InChIKey is LFNYSKSYDNSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2.C3H8/c1-18(30-12-14-32-15-13-30)19-6-9-22(10-7-19)27-16-20-4-2-3-5-23(20)25(31)29-24-11-8-21(26)17-28-24;1-3-2/h2-11,17,27H,1,12-16H2,(H,28,29,31);3H2,1-2H3.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane?
N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane has a molecular weight of 493.05 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[4-(1-morpholin-4-ylethenyl)anilino]methyl]benzamide;propane is sourced from PubChem (CID 142083083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).