N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide

C13H9ClN4O — CID 59479371

IUPACN-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide
SMILES[C-]#[N+]c1cc(C)nc(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H9ClN4O/c1-8-5-10(15-2)6-11(17-8)13(19)18-12-4-3-9(14)7-16-12/h3-7H,1H3,(H,16,18,19)
InChIKeyTUBICFIAIXVQPH-UHFFFAOYSA-N
MW272.70 g/mol
LogP3.24
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide

N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide (PubChem CID 59479371) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide
PubChem CID59479371
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC NameN-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide
SMILES[C-]#[N+]c1cc(C)nc(C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C13H9ClN4O/c1-8-5-10(15-2)6-11(17-8)13(19)18-12-4-3-9(14)7-16-12/h3-7H,1H3,(H,16,18,19)
InChIKeyTUBICFIAIXVQPH-UHFFFAOYSA-N
XLogP3.24
TPSA59.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-(5-chloro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 67164027
N-(3-chlorophenyl)-4-isocyano-6-methylpyridine-2-carboxamide
CID 59479360
4-chloro-N-(5-chloro-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 81225634
4,5-dichloro-1-N,2-N-bis(5-chloro-2-pyridinyl)benzene-1,2-dicarboxamide
CID 3421055
2-N,6-N-bis(5-chloro-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 3421113
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloro-2-pyridinyl)-2-fluoro-4-methylbenzamide
CID 79770805
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587
N-(5-chloro-2-pyridinyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47019747
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774
2-chloro-N-(5-iodo-2-pyridinyl)-6-methylpyrimidine-4-carboxamide
CID 114219747

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide (CID 59479371) is N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide is [C-]#[N+]c1cc(C)nc(C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide?
The InChIKey is TUBICFIAIXVQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c1-8-5-10(15-2)6-11(17-8)13(19)18-12-4-3-9(14)7-16-12/h3-7H,1H3,(H,16,18,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide has a molecular weight of 272.70 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-isocyano-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 59479371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).