4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C12H14N4O — CID 43643164

IUPAC4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCc1ccncc1
InChIInChI=1S/C12H14N4O/c1-16-8-10(13)6-11(16)12(17)15-7-9-2-4-14-5-3-9/h2-6,8H,7,13H2,1H3,(H,15,17)
InChIKeyFQGKNHQFYMGZQI-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.93
Rot. Bonds3

About 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 43643164) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID43643164
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCc1ccncc1
InChIInChI=1S/C12H14N4O/c1-16-8-10(13)6-11(16)12(17)15-7-9-2-4-14-5-3-9/h2-6,8H,7,13H2,1H3,(H,15,17)
InChIKeyFQGKNHQFYMGZQI-UHFFFAOYSA-N
XLogP0.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-1-methyl-N-(2-pyridin-4-ylethyl)pyrrole-2-carboxamide
CID 54943729
4-amino-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 61348466
4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 55142255
N-[(4-fluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159736
4-[2-(benzylamino)pyrimidin-5-yl]-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 97443116
N-[(3,5-difluorophenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159740
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
N-[(3,4-dimethylphenyl)methyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 71841020
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
4-amino-1-methyl-N-(2-methylprop-2-enyl)pyrrole-2-carboxamide
CID 114614945
4-amino-1-methyl-N-pyrazin-2-ylpyrrole-2-carboxamide
CID 43644131

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 43643164) is 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NCc1ccncc1.
What is the InChIKey of 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is FQGKNHQFYMGZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-8-10(13)6-11(16)12(17)15-7-9-2-4-14-5-3-9/h2-6,8H,7,13H2,1H3,(H,15,17).
What are the key properties of 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43643164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).