4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide

C19H22N4O — CID 131912405

IUPAC4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide
SMILESCn1cc(C#N)cc1C(=O)Nc1ccccc1CN1CCCCC1
InChIInChI=1S/C19H22N4O/c1-22-13-15(12-20)11-18(22)19(24)21-17-8-4-3-7-16(17)14-23-9-5-2-6-10-23/h3-4,7-8,11,13H,2,5-6,9-10,14H2,1H3,(H,21,24)
InChIKeyLWTBCIWPEYQQPO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.13
Rot. Bonds4

About 4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide

4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide (PubChem CID 131912405) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide
PubChem CID131912405
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide
SMILESCn1cc(C#N)cc1C(=O)Nc1ccccc1CN1CCCCC1
InChIInChI=1S/C19H22N4O/c1-22-13-15(12-20)11-18(22)19(24)21-17-8-4-3-7-16(17)14-23-9-5-2-6-10-23/h3-4,7-8,11,13H,2,5-6,9-10,14H2,1H3,(H,21,24)
InChIKeyLWTBCIWPEYQQPO-UHFFFAOYSA-N
XLogP3.13
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4,6-trimethyl-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131943063
2,6-dimethyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-4-carboxamide
CID 131894977
N-[2-(azepan-1-ylmethyl)phenyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 46968682
4-cyano-1-methyl-N-[2-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]sulfanylphenyl]pyrrole-2-carboxamide
CID 124739455
5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide
CID 46968234
4-cyano-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8968920
N-[2-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
CID 139018823
(2S,4S)-4-amino-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide
CID 131943076
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
4-bromo-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 60954936
4,4,4-trifluoro-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 131911207
2-amino-2-ethyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79814004

Frequently Asked Questions

What is the IUPAC name of 4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide (CID 131912405) is 4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide is Cn1cc(C#N)cc1C(=O)Nc1ccccc1CN1CCCCC1.
What is the InChIKey of 4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide?
The InChIKey is LWTBCIWPEYQQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22-13-15(12-20)11-18(22)19(24)21-17-8-4-3-7-16(17)14-23-9-5-2-6-10-23/h3-4,7-8,11,13H,2,5-6,9-10,14H2,1H3,(H,21,24).
What are the key properties of 4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide?
4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-1-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 131912405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).