N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide

C14H13N3O3 — CID 50880463

IUPACN-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
SMILESCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccnc1
InChIInChI=1S/C14H13N3O3/c1-9-6-12(17(19)20)7-10(2)13(9)16-14(18)11-4-3-5-15-8-11/h3-8H,1-2H3,(H,16,18)
InChIKeyQAMOBFYGZSSRTP-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.86
Rot. Bonds3

About N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide

N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide (PubChem CID 50880463) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
PubChem CID50880463
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide
SMILESCc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccnc1
InChIInChI=1S/C14H13N3O3/c1-9-6-12(17(19)20)7-10(2)13(9)16-14(18)11-4-3-5-15-8-11/h3-8H,1-2H3,(H,16,18)
InChIKeyQAMOBFYGZSSRTP-UHFFFAOYSA-N
XLogP2.86
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitro-2-(pyridine-3-carbonylamino)phenolate
CID 6946227
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3328921
N-(2-amino-4,6-dimethylphenyl)pyridine-3-carboxamide
CID 56773226
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
4-methyl-3-(pyridine-3-carbonylamino)thiophene-2-carboxylic acid
CID 114914626
N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 693354
N-(4-bromo-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 106491097
N-[2-chloro-6-nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 70120337
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
N-(4-iodo-2,5-dimethylphenyl)pyridine-3-carboxamide
CID 2209331
N-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine-3-carboxamide
CID 78928131
N'-(2-iodo-5-nitrobenzoyl)pyridine-3-carbohydrazide
CID 15547621

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide (CID 50880463) is N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide is Cc1cc([N+](=O)[O-])cc(C)c1NC(=O)c1cccnc1.
What is the InChIKey of N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is QAMOBFYGZSSRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-6-12(17(19)20)7-10(2)13(9)16-14(18)11-4-3-5-15-8-11/h3-8H,1-2H3,(H,16,18).
What are the key properties of N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide?
N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyl-4-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 50880463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).