N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide

C17H18ClN3O — CID 9488581

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccn1
InChIInChI=1S/C17H18ClN3O/c18-14-6-8-19-16(10-14)17(22)20-15-7-9-21(12-15)11-13-4-2-1-3-5-13/h1-6,8,10,15H,7,9,11-12H2,(H,20,22)/t15-/m1/s1
InChIKeyYBSCEKQXNMNKDO-OAHLLOKOSA-N
MW315.80 g/mol
LogP2.74
Rot. Bonds4

About N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide (PubChem CID 9488581) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
PubChem CID9488581
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccn1
InChIInChI=1S/C17H18ClN3O/c18-14-6-8-19-16(10-14)17(22)20-15-7-9-21(12-15)11-13-4-2-1-3-5-13/h1-6,8,10,15H,7,9,11-12H2,(H,20,22)/t15-/m1/s1
InChIKeyYBSCEKQXNMNKDO-OAHLLOKOSA-N
XLogP2.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 18156432
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-chloropyridine-2-carboxamide
CID 60707818
N-[(3R)-1-benzylpyrrolidin-3-yl]isoquinoline-1-carboxamide
CID 95254725
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-chloropyridine-2-carboxamide
CID 9488578
N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 63235597
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 9118983
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-chlorophenyl)-5-methyltriazole-4-carboxamide
CID 9488683
4-chloro-N-cyclopent-3-en-1-ylpyridine-2-carboxamide
CID 115696706
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72893525
N-(1-benzylpyrrolidin-3-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 18291363

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide (CID 9488581) is N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide is O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cc(Cl)ccn1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide?
The InChIKey is YBSCEKQXNMNKDO-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-14-6-8-19-16(10-14)17(22)20-15-7-9-21(12-15)11-13-4-2-1-3-5-13/h1-6,8,10,15H,7,9,11-12H2,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide is sourced from PubChem (CID 9488581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).