N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide

C16H15N3O — CID 72551298

IUPACN-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(C#Cc2ccncc2)cn1
InChIInChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20)
InChIKeySTAFRSGTRKNXHF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.01
Rot. Bonds2

About N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide

N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide (PubChem CID 72551298) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
PubChem CID72551298
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(C#Cc2ccncc2)cn1
InChIInChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20)
InChIKeySTAFRSGTRKNXHF-UHFFFAOYSA-N
XLogP2.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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VU0424465
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N2,N4-Bis(2-methoxyethyl)-2,4-pyridinedicarboxamide
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CID 73101
(5-Phenyl-4,5-dihydro-1H-pyrazol-1-yl)(pyridin-2-yl)methanone
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CID 65975
N-benzyl-1H-pyrrole-2-carboxamide
CID 11019886
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide?
The IUPAC name of N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide (CID 72551298) is N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide?
The canonical SMILES for N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide is CC(C)NC(=O)c1ccc(C#Cc2ccncc2)cn1.
What is the InChIKey of N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide?
The InChIKey is STAFRSGTRKNXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12(2)19-16(20)15-6-5-14(11-18-15)4-3-13-7-9-17-10-8-13/h5-12H,1-2H3,(H,19,20).
What are the key properties of N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide?
N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide is sourced from PubChem (CID 72551298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).