1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide

C24H30N4O — CID 86824271

IUPAC1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(CCN(C)C)Cc2cccnc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C24H30N4O/c1-19-15-23(20(2)28(19)18-21-9-6-5-7-10-21)24(29)27(14-13-26(3)4)17-22-11-8-12-25-16-22/h5-12,15-16H,13-14,17-18H2,1-4H3
InChIKeyQZWRGCZYJZNSFP-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.75
Rot. Bonds8

About 1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide

1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide (PubChem CID 86824271) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
PubChem CID86824271
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(CCN(C)C)Cc2cccnc2)c(C)n1Cc1ccccc1
InChIInChI=1S/C24H30N4O/c1-19-15-23(20(2)28(19)18-21-9-6-5-7-10-21)24(29)27(14-13-26(3)4)17-22-11-8-12-25-16-22/h5-12,15-16H,13-14,17-18H2,1-4H3
InChIKeyQZWRGCZYJZNSFP-UHFFFAOYSA-N
XLogP3.75
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-2,5-dimethyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)pyrrole-3-carboxamide
CID 78806465
1-benzyl-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 86824246
N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
N-[2-(dimethylamino)ethyl]-4-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86824226
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 62052013
(E)-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobut-2-enoic acid
CID 60951962
2-[(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)-methylamino]propanoic acid
CID 119208694
3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)benzamide
CID 86824225
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
1-[2-(dimethylamino)ethyl]-1-(pyridin-3-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 87008900
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide (CID 86824271) is 1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(CCN(C)C)Cc2cccnc2)c(C)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is QZWRGCZYJZNSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-19-15-23(20(2)28(19)18-21-9-6-5-7-10-21)24(29)27(14-13-26(3)4)17-22-11-8-12-25-16-22/h5-12,15-16H,13-14,17-18H2,1-4H3.
What are the key properties of 1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide?
1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 86824271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).