N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide

C11H9ClN4O3 — CID 115683304

IUPACN-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C11H9ClN4O3/c1-15-6-7(16(18)19)5-8(15)11(17)14-10-4-2-3-9(12)13-10/h2-6H,1H3,(H,13,14,17)
InChIKeyWRWQRHIXWAZNMQ-UHFFFAOYSA-N
MW280.67 g/mol
LogP2.23
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide

N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide (PubChem CID 115683304) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
PubChem CID115683304
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC NameN-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
SMILESCn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)n1
InChIInChI=1S/C11H9ClN4O3/c1-15-6-7(16(18)19)5-8(15)11(17)14-10-4-2-3-9(12)13-10/h2-6H,1H3,(H,13,14,17)
InChIKeyWRWQRHIXWAZNMQ-UHFFFAOYSA-N
XLogP2.23
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 60699295
1-methyl-4-nitro-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 61393253
N-(6-bromo-2-pyridinyl)-4-nitro-1-propan-2-ylpyrrole-2-carboxamide
CID 43640235
1-methyl-N-(3-methylsulfanylphenyl)-4-nitropyrrole-2-carboxamide
CID 18102066
N-(1H-benzimidazol-2-yl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 60698274
methyl 1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]imidazole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 170108124
methyl 1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate
CID 59440204
N-(3-amino-4-methoxyphenyl)-1-methyl-4-nitropyrrole-2-carboxamide
CID 43599966
1-(4-chlorophenyl)-3-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]thiourea
CID 118706626
ethyl 1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]imidazole-2-carbonyl]amino]imidazole-2-carboxylate
CID 46853533
3-chloro-N-(6-chloro-2-pyridinyl)-2-nitrobenzamide
CID 79946418
1-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]-3-phenylurea
CID 118706462

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide (CID 115683304) is N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide is Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)n1.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide?
The InChIKey is WRWQRHIXWAZNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c1-15-6-7(16(18)19)5-8(15)11(17)14-10-4-2-3-9(12)13-10/h2-6H,1H3,(H,13,14,17).
What are the key properties of N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide?
N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide has a molecular weight of 280.67 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-1-methyl-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 115683304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).