N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

C15H15N3O2 — CID 107521891

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESN#CCCN(C(=O)c1ncccc1C#CCO)C1CC1
InChIInChI=1S/C15H15N3O2/c16-8-3-10-18(13-6-7-13)15(20)14-12(5-2-11-19)4-1-9-17-14/h1,4,9,13,19H,3,6-7,10-11H2
InChIKeyBIONSWIKQNJWGK-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.94
Rot. Bonds4

About N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (PubChem CID 107521891) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
PubChem CID107521891
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
SMILESN#CCCN(C(=O)c1ncccc1C#CCO)C1CC1
InChIInChI=1S/C15H15N3O2/c16-8-3-10-18(13-6-7-13)15(20)14-12(5-2-11-19)4-1-9-17-14/h1,4,9,13,19H,3,6-7,10-11H2
InChIKeyBIONSWIKQNJWGK-UHFFFAOYSA-N
XLogP0.94
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-ethyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 107521854
3-bromo-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 107517439
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 107523010
(3,4-dihydroxypyrrolidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107523358
N-[2-(cyclopropylamino)-2-oxoethyl]-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107521941
N-(2,2-difluoroethyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107523217
N-(4-fluorophenyl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107522163
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675
N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-2-carboxamide
CID 107523154
3-(3-aminoprop-1-ynyl)-N-(2-cyanoethyl)-N-cyclopropylthiophene-2-carboxamide
CID 63799003
(3-hydroxy-4-methylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107523336
N-(2-cyanoethyl)-N-cyclopropylpyridazine-4-carboxamide
CID 112702167

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide (CID 107521891) is N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is N#CCCN(C(=O)c1ncccc1C#CCO)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
The InChIKey is BIONSWIKQNJWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c16-8-3-10-18(13-6-7-13)15(20)14-12(5-2-11-19)4-1-9-17-14/h1,4,9,13,19H,3,6-7,10-11H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide is sourced from PubChem (CID 107521891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).