N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide

C22H25N3O — CID 60550798

IUPACN-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)C(C)C)c(C)n1-c1cccnc1
InChIInChI=1S/C22H25N3O/c1-16(2)24(15-19-9-6-5-7-10-19)22(26)21-13-17(3)25(18(21)4)20-11-8-12-23-14-20/h5-14,16H,15H2,1-4H3
InChIKeyFCFPBAIJPGYXNZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.54
Rot. Bonds5

About N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide

N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 60550798) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID60550798
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)C(C)C)c(C)n1-c1cccnc1
InChIInChI=1S/C22H25N3O/c1-16(2)24(15-19-9-6-5-7-10-19)22(26)21-13-17(3)25(18(21)4)20-11-8-12-23-14-20/h5-14,16H,15H2,1-4H3
InChIKeyFCFPBAIJPGYXNZ-UHFFFAOYSA-N
XLogP4.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
CID 30281388
N,2,5-trimethyl-1-phenyl-N-(1-pyridin-3-ylpropyl)pyrrole-3-carboxamide
CID 77084067
1-benzyl-1-propan-2-yl-3-(pyridin-3-ylmethyl)urea
CID 110706279
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 71896385
N-benzyl-2-methyl-N-propan-2-ylbenzamide
CID 562391
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 95591999
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
N-benzyl-2-fluoro-5-methyl-N-propan-2-ylbenzamide
CID 62509539
5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114917912

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide (CID 60550798) is N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide is Cc1cc(C(=O)N(Cc2ccccc2)C(C)C)c(C)n1-c1cccnc1.
What is the InChIKey of N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is FCFPBAIJPGYXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-16(2)24(15-19-9-6-5-7-10-19)22(26)21-13-17(3)25(18(21)4)20-11-8-12-23-14-20/h5-14,16H,15H2,1-4H3.
What are the key properties of N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide?
N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 60550798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).