N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide

C14H10ClN3O4 — CID 54520850

IUPACN-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])n1
InChIInChI=1S/C14H10ClN3O4/c1-8-5-10(7-12(16-8)18(21)22)14(20)17-13(19)9-3-2-4-11(15)6-9/h2-7H,1H3,(H,17,19,20)
InChIKeyYPRPMKCEJBAYJR-UHFFFAOYSA-N
MW319.70 g/mol
LogP2.52
Rot. Bonds3

About N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide

N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide (PubChem CID 54520850) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide
PubChem CID54520850
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC NameN-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])n1
InChIInChI=1S/C14H10ClN3O4/c1-8-5-10(7-12(16-8)18(21)22)14(20)17-13(19)9-3-2-4-11(15)6-9/h2-7H,1H3,(H,17,19,20)
InChIKeyYPRPMKCEJBAYJR-UHFFFAOYSA-N
XLogP2.52
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 52.52
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorobenzoyl)-2-ethyl-6-nitropyridine-4-carboxamide
CID 54336800
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
3-chloro-N-(3-oxobutanoyl)benzamide
CID 86030808
3-chloro-N-[(4-chloro-2-nitrophenyl)carbamothioyl]benzamide
CID 4948464
3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9174858
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
3-chloro-N-[(2-chloro-4-nitrophenyl)carbamothioyl]benzamide
CID 2897520
3-chloro-N-(dimethylcarbamothioyl)benzamide
CID 2302012
4-bromo-N'-(3-chlorobenzoyl)-3-nitrobenzohydrazide
CID 8913316
3,5-dichloro-N-[[(3-nitrobenzoyl)amino]carbamothioyl]benzamide
CID 17133971
N-(4-methoxybenzoyl)-2-nitropyridine-4-carboxamide
CID 54243041

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide?
The IUPAC name of N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide (CID 54520850) is N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide.
What is the SMILES notation for N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide?
The canonical SMILES for N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide is Cc1cc(C(=O)NC(=O)c2cccc(Cl)c2)cc([N+](=O)[O-])n1.
What is the InChIKey of N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide?
The InChIKey is YPRPMKCEJBAYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c1-8-5-10(7-12(16-8)18(21)22)14(20)17-13(19)9-3-2-4-11(15)6-9/h2-7H,1H3,(H,17,19,20).
What are the key properties of N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide?
N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide has a molecular weight of 319.70 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorobenzoyl)-2-methyl-6-nitropyridine-4-carboxamide is sourced from PubChem (CID 54520850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).