2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide

C22H25N3O — CID 78779504

IUPAC2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2ccccc2)c2ccccn2)c(C)n1C(C)C
InChIInChI=1S/C22H25N3O/c1-15(2)25-16(3)14-19(17(25)4)22(26)24-21(18-10-6-5-7-11-18)20-12-8-9-13-23-20/h5-15,21H,1-4H3,(H,24,26)
InChIKeyTVWDWGARHQUUAS-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.60
Rot. Bonds5

About 2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide

2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 78779504) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID78779504
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NC(c2ccccc2)c2ccccn2)c(C)n1C(C)C
InChIInChI=1S/C22H25N3O/c1-15(2)25-16(3)14-19(17(25)4)22(26)24-21(18-10-6-5-7-11-18)20-12-8-9-13-23-20/h5-15,21H,1-4H3,(H,24,26)
InChIKeyTVWDWGARHQUUAS-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-1-phenyl-N-[(S)-phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 51927508
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
2,5-difluoro-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 51885946
N'-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrole-3-carbonyl]pyridine-2-carbohydrazide
CID 31851493
1-(4-bromophenyl)-5-methyl-N-[phenyl(pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 46554617
1-methyl-2-oxo-N-[(R)-phenyl(pyridin-2-yl)methyl]pyridine-4-carboxamide
CID 94001377
2,4-dimethoxy-N-[phenyl(pyridin-2-yl)methyl]benzamide
CID 44765343
N-[phenyl(pyridin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 44765282
5-chloro-2-methoxy-N-[(S)-phenyl(pyridin-2-yl)methyl]benzamide
CID 93157403
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
3-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]butanamide
CID 36947465

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide (CID 78779504) is 2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NC(c2ccccc2)c2ccccn2)c(C)n1C(C)C.
What is the InChIKey of 2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is TVWDWGARHQUUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-15(2)25-16(3)14-19(17(25)4)22(26)24-21(18-10-6-5-7-11-18)20-12-8-9-13-23-20/h5-15,21H,1-4H3,(H,24,26).
What are the key properties of 2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide?
2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 78779504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).