N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide

C12H13N3O — CID 110471197

IUPACN-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
SMILESCn1cccc1CNC(=O)c1ccccn1
InChIInChI=1S/C12H13N3O/c1-15-8-4-5-10(15)9-14-12(16)11-6-2-3-7-13-11/h2-8H,9H2,1H3,(H,14,16)
InChIKeySRUQMFOZSWTXGZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.35
Rot. Bonds3

About N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide

N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 110471197) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID110471197
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide
SMILESCn1cccc1CNC(=O)c1ccccn1
InChIInChI=1S/C12H13N3O/c1-15-8-4-5-10(15)9-14-12(16)11-6-2-3-7-13-11/h2-8H,9H2,1H3,(H,14,16)
InChIKeySRUQMFOZSWTXGZ-UHFFFAOYSA-N
XLogP1.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyrazine-2-carboxamide
CID 107257938
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474082
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103755664
1-chloro-N-[(1-methylpyrrol-2-yl)methyl]isoquinoline-3-carboxamide
CID 103714433
2-hydroxy-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 103713795
4-chloro-N-[(1-methylpyrrol-2-yl)methyl]pyridine-3-carboxamide
CID 103873581
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110472049
2-methyl-1-[(1-methylpyrrol-2-yl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 119140092
N-[(1-methylpyrrol-2-yl)methyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110472606
2-(dimethylamino)-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 110473301
2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474283
3,6-dichloro-N-[(1-methylpyrrol-2-yl)methyl]pyridazine-4-carboxamide
CID 106415778

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide (CID 110471197) is N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide is Cn1cccc1CNC(=O)c1ccccn1.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is SRUQMFOZSWTXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-8-4-5-10(15)9-14-12(16)11-6-2-3-7-13-11/h2-8H,9H2,1H3,(H,14,16).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide?
N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110471197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).