1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide

C15H19N3O — CID 124628464

IUPAC1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide
SMILESCC[C@@H](NC(=O)c1ccn(C)c1C)c1ccncc1
InChIInChI=1S/C15H19N3O/c1-4-14(12-5-8-16-9-6-12)17-15(19)13-7-10-18(3)11(13)2/h5-10,14H,4H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeySJZNPUBTJWFXTE-CQSZACIVSA-N
MW257.34 g/mol
LogP2.61
Rot. Bonds4

About 1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide

1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide (PubChem CID 124628464) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide
PubChem CID124628464
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide
SMILESCC[C@@H](NC(=O)c1ccn(C)c1C)c1ccncc1
InChIInChI=1S/C15H19N3O/c1-4-14(12-5-8-16-9-6-12)17-15(19)13-7-10-18(3)11(13)2/h5-10,14H,4H2,1-3H3,(H,17,19)/t14-/m1/s1
InChIKeySJZNPUBTJWFXTE-CQSZACIVSA-N
XLogP2.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
N-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1,2-dimethylpyrrole-3-carboxamide
CID 126437941
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
N-[(1R)-1-pyridin-4-ylpropyl]hydroxylamine
CID 130707242
6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide
CID 99931443
1-ethyl-5-methyl-N-[1-(4-methylphenyl)propyl]pyrazole-4-carboxamide
CID 19280747
N-[(1R)-1-(4-methoxyphenyl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 97310627
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
2,4,5-trimethyl-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 100710053
N-[1-(4-bromophenyl)propyl]-3-chloropyridine-4-carboxamide
CID 66484299
N-[1-(4-bromophenyl)propyl]-4-chloropyridine-3-carboxamide
CID 81226484
N-[(1S)-1-(1H-pyrazol-4-yl)propyl]pyridine-4-carboxamide
CID 140582861

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide?
The IUPAC name of 1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide (CID 124628464) is 1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide is CC[C@@H](NC(=O)c1ccn(C)c1C)c1ccncc1.
What is the InChIKey of 1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide?
The InChIKey is SJZNPUBTJWFXTE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-14(12-5-8-16-9-6-12)17-15(19)13-7-10-18(3)11(13)2/h5-10,14H,4H2,1-3H3,(H,17,19)/t14-/m1/s1.
What are the key properties of 1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide?
1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[(1R)-1-pyridin-4-ylpropyl]pyrrole-3-carboxamide is sourced from PubChem (CID 124628464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).