1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide

C21H29N3O2 — CID 17472947

IUPAC1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(C)n(C3CCCCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C21H29N3O2/c1-13-10-14(2)23-21(26)19(13)12-22-20(25)18-11-15(3)24(16(18)4)17-8-6-5-7-9-17/h10-11,17H,5-9,12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyOUFNQFHOEHMLCV-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.85
Rot. Bonds4

About 1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide

1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 17472947) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID17472947
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(C)n(C3CCCCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C21H29N3O2/c1-13-10-14(2)23-21(26)19(13)12-22-20(25)18-11-15(3)24(16(18)4)17-8-6-5-7-9-17/h10-11,17H,5-9,12H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyOUFNQFHOEHMLCV-UHFFFAOYSA-N
XLogP3.85
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide (CID 17472947) is 1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(C)n(C3CCCCC3)c2C)c(=O)[nH]1.
What is the InChIKey of 1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is OUFNQFHOEHMLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-13-10-14(2)23-21(26)19(13)12-22-20(25)18-11-15(3)24(16(18)4)17-8-6-5-7-9-17/h10-11,17H,5-9,12H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide?
1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 17472947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).