2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide

C18H17Cl2N3O — CID 87064218

IUPAC2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide
SMILESCN1CC=C(c2cc(Cl)ccc2NC(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C18H17Cl2N3O/c1-23-8-5-12(6-9-23)15-11-14(19)2-3-16(15)22-18(24)13-4-7-21-17(20)10-13/h2-5,7,10-11H,6,8-9H2,1H3,(H,22,24)
InChIKeyTVSHUXJNUPBOBA-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.36
Rot. Bonds3

About 2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide

2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide (PubChem CID 87064218) has the molecular formula C18H17Cl2N3O and a molecular weight of 362.26 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide
PubChem CID87064218
Molecular FormulaC18H17Cl2N3O
Molecular Weight362.26 g/mol
Exact Mass361.07
IUPAC Name2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide
SMILESCN1CC=C(c2cc(Cl)ccc2NC(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C18H17Cl2N3O/c1-23-8-5-12(6-9-23)15-11-14(19)2-3-16(15)22-18(24)13-4-7-21-17(20)10-13/h2-5,7,10-11H,6,8-9H2,1H3,(H,22,24)
InChIKeyTVSHUXJNUPBOBA-UHFFFAOYSA-N
XLogP4.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide
CID 61040669
4-[(2-chloropyridine-4-carbonyl)amino]-3-fluorobenzoic acid
CID 103871818
[5-chloro-2-(methylamino)phenyl]-(2-chloro-4-pyridinyl)methanone
CID 90305435
2-chloro-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 30888506
4-[4-chloro-2-[(3-chlorobenzoyl)amino]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 86646917
N-(4-chloro-2-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110859208
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758
2-chloro-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)pyridine-4-carboxamide
CID 48667099
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084356
2-chloro-N-(4-iodo-3-pyridinyl)pyridine-4-carboxamide
CID 118063649
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide (CID 87064218) is 2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide is CN1CC=C(c2cc(Cl)ccc2NC(=O)c2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is TVSHUXJNUPBOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O/c1-23-8-5-12(6-9-23)15-11-14(19)2-3-16(15)22-18(24)13-4-7-21-17(20)10-13/h2-5,7,10-11H,6,8-9H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide?
2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 362.26 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 87064218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).