6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide

C12H13N3O — CID 106385210

IUPAC6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cc[nH]c2)cn1
InChIInChI=1S/C12H13N3O/c1-9-2-3-11(8-14-9)12(16)15-7-10-4-5-13-6-10/h2-6,8,13H,7H2,1H3,(H,15,16)
InChIKeyZYQRTIJCOPUZIB-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.65
Rot. Bonds3

About 6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide

6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 106385210) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
PubChem CID106385210
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cc[nH]c2)cn1
InChIInChI=1S/C12H13N3O/c1-9-2-3-11(8-14-9)12(16)15-7-10-4-5-13-6-10/h2-6,8,13H,7H2,1H3,(H,15,16)
InChIKeyZYQRTIJCOPUZIB-UHFFFAOYSA-N
XLogP1.65
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782670
N-(1H-pyrrol-3-ylmethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 106385679
N-[[4-(diethylaminomethyl)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 18154708
N-[(6-methyl-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47227479
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
6-methyl-N-[(5-methylthiophen-2-yl)methyl]pyridine-3-carboxamide
CID 47043683
2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384825
N-(1H-pyrrol-3-ylmethyl)-4-(2H-tetrazol-5-yl)benzamide
CID 106385274
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
3,4,5-trichloro-N-(1H-pyrrol-3-ylmethyl)pyridine-2-carboxamide
CID 106385570

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide (CID 106385210) is 6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCc2cc[nH]c2)cn1.
What is the InChIKey of 6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZYQRTIJCOPUZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9-2-3-11(8-14-9)12(16)15-7-10-4-5-13-6-10/h2-6,8,13H,7H2,1H3,(H,15,16).
What are the key properties of 6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide?
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106385210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).