N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide

C19H18N6O — CID 153419202

IUPACN-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide
SMILES[C-]#[N+]c1cc(-c2cccc(C(C)(C)CNC(=O)c3ccccn3)n2)n[nH]1
InChIInChI=1S/C19H18N6O/c1-19(2,12-22-18(26)14-7-4-5-10-21-14)16-9-6-8-13(23-16)15-11-17(20-3)25-24-15/h4-11H,12H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyXXBCHTHKLKSPDU-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.13
Rot. Bonds5

About N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide

N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide (PubChem CID 153419202) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide
PubChem CID153419202
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide
SMILES[C-]#[N+]c1cc(-c2cccc(C(C)(C)CNC(=O)c3ccccn3)n2)n[nH]1
InChIInChI=1S/C19H18N6O/c1-19(2,12-22-18(26)14-7-4-5-10-21-14)16-9-6-8-13(23-16)15-11-17(20-3)25-24-15/h4-11H,12H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyXXBCHTHKLKSPDU-UHFFFAOYSA-N
XLogP3.13
TPSA87.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)pyridine-2-carboxamide
CID 106144378
[2-[6-(3-isocyanopyrazol-1-id-5-yl)-2-pyridinyl]-2-methylpropyl]-(pyridine-2-carbonyl)azanide;platinum(2+)
CID 153419201
N-(2-hydroxy-2,5-dimethylhexyl)pyridine-2-carboxamide
CID 111485413
N-(2,2-difluoro-2-phenylethyl)pyridine-2-carboxamide
CID 162399417
N-[2,3-dimethyl-3-(pyridine-2-carbonylamino)butan-2-yl]pyridine-2-carboxamide
CID 15860605
tert-butyl N-[2-(pyridine-2-carbonylamino)ethyl]carbamate
CID 47453309
5-methyl-N-(2-methyl-2-phenylpropyl)-1H-pyrazole-3-carboxamide
CID 47297607
acetic acid;N-ethylpyridine-2-carboxamide
CID 174901243
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
2-[[2-methyl-2-(3-methylphenyl)propyl]carbamoyl]pyridine-4-carboxylic acid
CID 122055460
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide (CID 153419202) is N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide is [C-]#[N+]c1cc(-c2cccc(C(C)(C)CNC(=O)c3ccccn3)n2)n[nH]1.
What is the InChIKey of N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide?
The InChIKey is XXBCHTHKLKSPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-19(2,12-22-18(26)14-7-4-5-10-21-14)16-9-6-8-13(23-16)15-11-17(20-3)25-24-15/h4-11H,12H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide?
N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(5-isocyano-1H-pyrazol-3-yl)-2-pyridinyl]-2-methylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 153419202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).