6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide

C13H15N3O2 — CID 103722339

IUPAC6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccn(C)c2)c[nH]1
InChIInChI=1S/C13H15N3O2/c1-9-5-12(17)11(7-14-9)13(18)15-6-10-3-4-16(2)8-10/h3-5,7-8H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyNSPFJTSTALJJHJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.95
Rot. Bonds3

About 6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide

6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103722339) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103722339
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccn(C)c2)c[nH]1
InChIInChI=1S/C13H15N3O2/c1-9-5-12(17)11(7-14-9)13(18)15-6-10-3-4-16(2)8-10/h3-5,7-8H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyNSPFJTSTALJJHJ-UHFFFAOYSA-N
XLogP0.95
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123218133
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-ethylpyrrole-3-carboxamide
CID 154637350
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-tert-butylpyrrole-3-carboxamide
CID 154637414
1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-N-tert-butylpyrrole-3-carboxamide
CID 154983816
1-[(E)-2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrrole-3-carboxamide
CID 154989036
N-ethyl-1-[(2E)-2-(fluoromethylidene)butyl]pyrrole-3-carboxamide
CID 154989186
1-[2-(aminomethyl)-3-fluoroprop-2-enyl]-N-methylpyrrole-3-carboxamide
CID 166783916
N-propan-2-yl-3-[3-(2,2,2-trifluoroacetyl)pyrrol-1-yl]propanamide
CID 81601310
N-ethyl-3-[3-(2,2,2-trifluoroacetyl)pyrrol-1-yl]propanamide
CID 81601469
2-oxo-N-(1H-pyrrol-3-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 106386003
N-(3,3-difluorobutan-2-yl)-1-methylpyrrole-3-carboxamide
CID 126793910
N-[(2R)-3,3-difluorobutan-2-yl]-1-methylpyrrole-3-carboxamide
CID 129348640

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide (CID 103722339) is 6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2ccn(C)c2)c[nH]1.
What is the InChIKey of 6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NSPFJTSTALJJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-5-12(17)11(7-14-9)13(18)15-6-10-3-4-16(2)8-10/h3-5,7-8H,6H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-methylpyrrol-3-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103722339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).