N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide

C21H19ClN4O2 — CID 163828277

IUPACN-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESO=C(NC1=CC(c2ccc(Cl)cc2)CN=C1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H19ClN4O2/c22-17-5-3-13(4-6-17)16-9-18(12-23-11-16)25-21(28)15-7-8-24-19(10-15)26-20(27)14-1-2-14/h3-10,12,14,16H,1-2,11H2,(H,25,28)(H,24,26,27)
InChIKeyOBLJWNIXJFQTDY-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.57
Rot. Bonds5

About N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide

N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (PubChem CID 163828277) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
PubChem CID163828277
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC NameN-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
SMILESO=C(NC1=CC(c2ccc(Cl)cc2)CN=C1)c1ccnc(NC(=O)C2CC2)c1
InChIInChI=1S/C21H19ClN4O2/c22-17-5-3-13(4-6-17)16-9-18(12-23-11-16)25-21(28)15-7-8-24-19(10-15)26-20(27)14-1-2-14/h3-10,12,14,16H,1-2,11H2,(H,25,28)(H,24,26,27)
InChIKeyOBLJWNIXJFQTDY-UHFFFAOYSA-N
XLogP3.57
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropanecarbonylamino)-N-[3-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyridin-5-yl]pyridine-4-carboxamide
CID 162571091
N-(3-cyclobutyl-2,3-dihydropyridin-5-yl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 163529684
2-(cyclopropanecarbonylamino)-N-(1-methylimidazol-4-yl)pyridine-4-carboxamide
CID 118065444
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
CID 59617959
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 67509417
2-(cyclopropanecarbonylamino)-N-(6-fluoro-5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 118071000
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
2-(cyclopropanecarbonylamino)-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 136541919
2-(cyclopropanecarbonylamino)-N-(1,1-dioxothian-3-yl)pyridine-4-carboxamide
CID 136541956
2-(cyclopropanecarbonylamino)-N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-4-carboxamide
CID 138989575
2-(cyclopropanecarbonylamino)-N-(7,8-dichloro-3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 138997796

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The IUPAC name of N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide (CID 163828277) is N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is O=C(NC1=CC(c2ccc(Cl)cc2)CN=C1)c1ccnc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
The InChIKey is OBLJWNIXJFQTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-17-5-3-13(4-6-17)16-9-18(12-23-11-16)25-21(28)15-7-8-24-19(10-15)26-20(27)14-1-2-14/h3-10,12,14,16H,1-2,11H2,(H,25,28)(H,24,26,27).
What are the key properties of N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide?
N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-2,3-dihydropyridin-5-yl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide is sourced from PubChem (CID 163828277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).