1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride

C17H24ClN3O — CID 67246906

IUPAC1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride
SMILESCN[C@H](CCNC(=O)c1cccn1C)Cc1ccccc1.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-18-15(13-14-7-4-3-5-8-14)10-11-19-17(21)16-9-6-12-20(16)2;/h3-9,12,15,18H,10-11,13H2,1-2H3,(H,19,21);1H/t15-;/m1./s1
InChIKeyFLQSDVDEGCCUKA-XFULWGLBSA-N
MW321.85 g/mol
LogP2.40
Rot. Bonds7

About 1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride

1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride (PubChem CID 67246906) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride
PubChem CID67246906
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride
SMILESCN[C@H](CCNC(=O)c1cccn1C)Cc1ccccc1.Cl
InChIInChI=1S/C17H23N3O.ClH/c1-18-15(13-14-7-4-3-5-8-14)10-11-19-17(21)16-9-6-12-20(16)2;/h3-9,12,15,18H,10-11,13H2,1-2H3,(H,19,21);1H/t15-;/m1./s1
InChIKeyFLQSDVDEGCCUKA-XFULWGLBSA-N
XLogP2.40
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[3-(methylamino)-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 77254133
ethane;1-methyl-N-propylpyrrole-2-carboxamide
CID 143101069
N-(2-hydroxy-2-phenylethyl)-1-methylpyrrole-2-carboxamide
CID 43391337
3,5-difluoro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 67261664
N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide
CID 53250073
N-[3-[1,3-benzodioxole-5-carbonyl(methyl)amino]-4-phenylbutyl]-1-methylpyrrole-2-carboxamide
CID 46864581
N,2,5-trimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-3-carboxamide
CID 67260802
4,6-dichloro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87324298
4,6-dichloro-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87329161
N,1,3-trimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indole-4-carboxamide
CID 77254056
N,1-dimethyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]indazole-4-carboxamide
CID 67262265
N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67247486

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride (CID 67246906) is 1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride is CN[C@H](CCNC(=O)c1cccn1C)Cc1ccccc1.Cl.
What is the InChIKey of 1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride?
The InChIKey is FLQSDVDEGCCUKA-XFULWGLBSA-N. The full InChI is InChI=1S/C17H23N3O.ClH/c1-18-15(13-14-7-4-3-5-8-14)10-11-19-17(21)16-9-6-12-20(16)2;/h3-9,12,15,18H,10-11,13H2,1-2H3,(H,19,21);1H/t15-;/m1./s1.
What are the key properties of 1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride?
1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride has a molecular weight of 321.85 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S)-3-(methylamino)-4-phenylbutyl]pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 67246906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).