N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide

C17H13ClN4O — CID 113018532

IUPACN-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2)nc1)c1cccnc1
InChIInChI=1S/C17H13ClN4O/c18-13-4-1-5-14(9-13)21-16-7-6-15(11-20-16)22-17(23)12-3-2-8-19-10-12/h1-11H,(H,20,21)(H,22,23)
InChIKeyDVBUHKPUYIWKEF-UHFFFAOYSA-N
MW324.77 g/mol
LogP4.13
Rot. Bonds4

About N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide

N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 113018532) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID113018532
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC NameN-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cccc(Cl)c2)nc1)c1cccnc1
InChIInChI=1S/C17H13ClN4O/c18-13-4-1-5-14(9-13)21-16-7-6-15(11-20-16)22-17(23)12-3-2-8-19-10-12/h1-11H,(H,20,21)(H,22,23)
InChIKeyDVBUHKPUYIWKEF-UHFFFAOYSA-N
XLogP4.13
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163419
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
N-[5-(3-methylanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113031450
N-[6-(3,5-dichloroanilino)-3-pyridinyl]-3-methylbenzamide
CID 113022321
N-[5-(3-methoxyanilino)-2-pyridinyl]pyridine-3-carboxamide
CID 113034083
N-[6-[2-(2,4-dichlorophenyl)ethylamino]-3-pyridinyl]pyridine-3-carboxamide
CID 113015856
N-[6-[4-(diethylamino)anilino]-3-pyridinyl]pyridine-3-carboxamide
CID 113020962
N-[6-(2,4-dimethylanilino)-3-pyridinyl]pyridine-3-carboxamide
CID 113016789
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
N-[5-(3-chloroanilino)-2-pyridinyl]-3-fluorobenzamide
CID 113033286
N-[6-(propanoylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 43812722

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide (CID 113018532) is N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide is O=C(Nc1ccc(Nc2cccc(Cl)c2)nc1)c1cccnc1.
What is the InChIKey of N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is DVBUHKPUYIWKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c18-13-4-1-5-14(9-13)21-16-7-6-15(11-20-16)22-17(23)12-3-2-8-19-10-12/h1-11H,(H,20,21)(H,22,23).
What are the key properties of N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide?
N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 324.77 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloroanilino)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 113018532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).