5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride

C17H21Cl2N3O — CID 119452546

IUPAC5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(-c2cncc(C(=O)NC3CCNC3)c2)cc1.Cl.Cl
InChIInChI=1S/C17H19N3O.2ClH/c1-12-2-4-13(5-3-12)14-8-15(10-19-9-14)17(21)20-16-6-7-18-11-16;;/h2-5,8-10,16,18H,6-7,11H2,1H3,(H,20,21);2*1H
InChIKeyHYFOOTPELSJWNS-UHFFFAOYSA-N
MW354.28 g/mol
LogP2.99
Rot. Bonds3

About 5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride

5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 119452546) has the molecular formula C17H21Cl2N3O and a molecular weight of 354.28 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID119452546
Molecular FormulaC17H21Cl2N3O
Molecular Weight354.28 g/mol
Exact Mass353.11
IUPAC Name5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride
SMILESCc1ccc(-c2cncc(C(=O)NC3CCNC3)c2)cc1.Cl.Cl
InChIInChI=1S/C17H19N3O.2ClH/c1-12-2-4-13(5-3-12)14-8-15(10-19-9-14)17(21)20-16-6-7-18-11-16;;/h2-5,8-10,16,18H,6-7,11H2,1H3,(H,20,21);2*1H
InChIKeyHYFOOTPELSJWNS-UHFFFAOYSA-N
XLogP2.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46032904
5-(4-methoxyphenyl)-N-piperidin-4-ylpyridine-3-carboxamide
CID 71730777
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
5-phenyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535829
3-iodo-4-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119454037
N-(4-aminocyclohexyl)-5-(4-methoxyphenyl)pyridine-3-carboxamide;dihydrochloride
CID 119475519
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499
2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451435
3-bromo-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 81472649
N-pyrrolidin-3-ylisoquinoline-7-carboxamide
CID 18337236
N-cyclopropyl-5-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 117086611
N-butyl-5-(4-methylphenyl)pyridine-3-carboxamide
CID 53020757

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride (CID 119452546) is 5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride is Cc1ccc(-c2cncc(C(=O)NC3CCNC3)c2)cc1.Cl.Cl.
What is the InChIKey of 5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is HYFOOTPELSJWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.2ClH/c1-12-2-4-13(5-3-12)14-8-15(10-19-9-14)17(21)20-16-6-7-18-11-16;;/h2-5,8-10,16,18H,6-7,11H2,1H3,(H,20,21);2*1H.
What are the key properties of 5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride?
5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 354.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-pyrrolidin-3-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119452546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).