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

C12H12N4O3 — CID 36714081

IUPAC1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccn1
InChIInChI=1S/C12H12N4O3/c1-15-8-10(16(18)19)6-11(15)12(17)14-7-9-4-2-3-5-13-9/h2-6,8H,7H2,1H3,(H,14,17)
InChIKeyHCGPWJXYPMQUPD-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.26
Rot. Bonds4

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

1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 36714081) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID36714081
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccn1
InChIInChI=1S/C12H12N4O3/c1-15-8-10(16(18)19)6-11(15)12(17)14-7-9-4-2-3-5-13-9/h2-6,8H,7H2,1H3,(H,14,17)
InChIKeyHCGPWJXYPMQUPD-UHFFFAOYSA-N
XLogP1.26
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43411105
N-[[2-(aminomethyl)phenyl]methyl]-1-methyl-4-nitropyrrole-2-carboxamide
CID 62950260
1-methyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrole-2-carboxamide
CID 54883343
1-methyl-4-nitro-N-(2-quinolin-8-ylethyl)pyrrole-2-carboxamide
CID 36646719
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
2-(dimethylamino)-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 9206110
5-methyl-1-(3-nitrophenyl)-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 37266147
4-chloro-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
CID 4626775
1-methyl-4-nitro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 114693730
1-methyl-N-(pyridin-2-ylmethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19578739
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
N'-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)oxamide
CID 2890332

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (CID 36714081) is 1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is Cn1cc([N+](=O)[O-])cc1C(=O)NCc1ccccn1.
What is the InChIKey of 1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is HCGPWJXYPMQUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-15-8-10(16(18)19)6-11(15)12(17)14-7-9-4-2-3-5-13-9/h2-6,8H,7H2,1H3,(H,14,17).
What are the key properties of 1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 36714081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).