6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide

C12H11N5O4 — CID 30290624

IUPAC6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cn1
InChIInChI=1S/C12H11N5O4/c1-7-2-3-8(5-13-7)11(18)15-16-12(19)10-4-9(6-14-10)17(20)21/h2-6,14H,1H3,(H,15,18)(H,16,19)
InChIKeyHKGNHPFMYSIEBX-UHFFFAOYSA-N
MW289.25 g/mol
LogP0.70
Rot. Bonds3

About 6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide

6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide (PubChem CID 30290624) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
PubChem CID30290624
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cn1
InChIInChI=1S/C12H11N5O4/c1-7-2-3-8(5-13-7)11(18)15-16-12(19)10-4-9(6-14-10)17(20)21/h2-6,14H,1H3,(H,15,18)(H,16,19)
InChIKeyHKGNHPFMYSIEBX-UHFFFAOYSA-N
XLogP0.70
TPSA130.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 50.70
H-Bond Donors ≤ 53
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-methylphenyl)-(4-nitro-1H-pyrrol-2-yl)methanone
CID 125475899
6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 8990926
N-(2-methoxy-5-nitrophenyl)-6-methylpyridine-3-carboxamide
CID 46511382
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
CID 113354459
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3274158
N-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334500
1-(2,5-dimethoxyphenyl)-3-[(4-nitro-1H-pyrrole-2-carbonyl)amino]urea
CID 118706460
methyl 2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]acetate
CID 43408669
3-methyl-5-[(4-nitro-1H-pyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43417368
N-(2-fluoro-4-hydroxyphenyl)-4-nitro-1H-pyrrole-2-carboxamide
CID 64786494
ethyl 2-[(4-nitro-1H-pyrrole-2-carbonyl)amino]propanoate
CID 61344417
N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 3616787

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide?
The IUPAC name of 6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide (CID 30290624) is 6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide.
What is the SMILES notation for 6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide?
The canonical SMILES for 6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide is Cc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)cn1.
What is the InChIKey of 6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide?
The InChIKey is HKGNHPFMYSIEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c1-7-2-3-8(5-13-7)11(18)15-16-12(19)10-4-9(6-14-10)17(20)21/h2-6,14H,1H3,(H,15,18)(H,16,19).
What are the key properties of 6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide?
6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide has a molecular weight of 289.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N'-(4-nitro-1H-pyrrole-2-carbonyl)pyridine-3-carbohydrazide is sourced from PubChem (CID 30290624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).