2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide

C19H18N4O3 — CID 71888436

IUPAC2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccnc1
InChIInChI=1S/C19H18N4O3/c1-13-10-18(14(2)22(13)17-4-3-9-20-12-17)19(24)21-11-15-5-7-16(8-6-15)23(25)26/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyFBNDQVDVUZVXJV-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.33
Rot. Bonds5

About 2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide

2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide (PubChem CID 71888436) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
PubChem CID71888436
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccnc1
InChIInChI=1S/C19H18N4O3/c1-13-10-18(14(2)22(13)17-4-3-9-20-12-17)19(24)21-11-15-5-7-16(8-6-15)23(25)26/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyFBNDQVDVUZVXJV-UHFFFAOYSA-N
XLogP3.33
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.33
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

1-(3-methoxyphenyl)-2,5-dimethyl-N-[(4-nitrophenyl)methyl]pyrrole-3-carboxamide
CID 55982368
2,5-dimethyl-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55971773
2,5-dimethyl-1-pyridin-3-yl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrrole-3-carboxamide
CID 47029958
4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
CID 81225012
N-[[4-[[(4-nitrophenyl)sulfonylamino]methyl]phenyl]methyl]pyridine-3-carboxamide
CID 155565992
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 55972294
2-fluoro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
CID 107358761
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 71896385
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 95591999
N-benzyl-2,5-dimethyl-N-propan-2-yl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 60550798
2-methyl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 691924
1-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-2-iodoethanone
CID 90315999

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide (CID 71888436) is 2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccnc1.
What is the InChIKey of 2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide?
The InChIKey is FBNDQVDVUZVXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-10-18(14(2)22(13)17-4-3-9-20-12-17)19(24)21-11-15-5-7-16(8-6-15)23(25)26/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of 2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide?
2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(4-nitrophenyl)methyl]-1-pyridin-3-ylpyrrole-3-carboxamide is sourced from PubChem (CID 71888436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).