(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride

C16H19ClN4O — CID 122081463

IUPAC(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Nc2ccccc2)nc1)[C@@H]1CCCN1
InChIInChI=1S/C16H18N4O.ClH/c21-16(14-7-4-10-17-14)20-13-8-9-15(18-11-13)19-12-5-2-1-3-6-12;/h1-3,5-6,8-9,11,14,17H,4,7,10H2,(H,18,19)(H,20,21);1H/t14-;/m0./s1
InChIKeyWBMYQXSWHMDFNX-UQKRIMTDSA-N
MW318.81 g/mol
LogP2.94
Rot. Bonds4

About (2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 122081463) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is (2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID122081463
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(Nc2ccccc2)nc1)[C@@H]1CCCN1
InChIInChI=1S/C16H18N4O.ClH/c21-16(14-7-4-10-17-14)20-13-8-9-15(18-11-13)19-12-5-2-1-3-6-12;/h1-3,5-6,8-9,11,14,17H,4,7,10H2,(H,18,19)(H,20,21);1H/t14-;/m0./s1
InChIKeyWBMYQXSWHMDFNX-UQKRIMTDSA-N
XLogP2.94
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119879391
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(6-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 119849166
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737
N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-2-carboxamide
CID 43426246
2-[5-[[(2S)-piperidine-2-carbonyl]amino]-2-pyridinyl]acetic acid
CID 107341016
(2R)-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 103813435
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
(2S)-N-quinolin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119840907
N-(5-fluoro-2-pyridinyl)piperidine-2-carboxamide
CID 119839119
(2R)-N-[6-(dimethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 104912943

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride (CID 122081463) is (2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(Nc2ccccc2)nc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is WBMYQXSWHMDFNX-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H18N4O.ClH/c21-16(14-7-4-10-17-14)20-13-8-9-15(18-11-13)19-12-5-2-1-3-6-12;/h1-3,5-6,8-9,11,14,17H,4,7,10H2,(H,18,19)(H,20,21);1H/t14-;/m0./s1.
What are the key properties of (2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 318.81 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-anilino-3-pyridinyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 122081463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).