N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide

C12H13N3O2 — CID 106422181

IUPACN-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCn1cccc1CNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H13N3O2/c1-15-6-2-3-9(15)7-14-12(17)10-8-13-5-4-11(10)16/h2-6,8H,7H2,1H3,(H,13,16)(H,14,17)
InChIKeyVHIRZKPTWVJQNL-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.64
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide

N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 106422181) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID106422181
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCn1cccc1CNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C12H13N3O2/c1-15-6-2-3-9(15)7-14-12(17)10-8-13-5-4-11(10)16/h2-6,8H,7H2,1H3,(H,13,16)(H,14,17)
InChIKeyVHIRZKPTWVJQNL-UHFFFAOYSA-N
XLogP0.64
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
N-benzyl-4-oxo-1H-pyridine-3-carboxamide
CID 23633090
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-3-carboxamide
CID 103713461
N-[(1-methylpyrrol-2-yl)methyl]-1H-indole-7-carboxamide
CID 103713426
N-[(2-fluorophenyl)methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103336844
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473301
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
CID 110471197
2-(2-aminoethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 106416688
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
4-amino-2-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473992

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide (CID 106422181) is N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide is Cn1cccc1CNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VHIRZKPTWVJQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-6-2-3-9(15)7-14-12(17)10-8-13-5-4-11(10)16/h2-6,8H,7H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide?
N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106422181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).