N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide

C13H14N2O2 — CID 54974844

IUPACN-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(C#CCO)c1)C1CC1
InChIInChI=1S/C13H14N2O2/c1-15(12-4-5-12)13(17)11-7-10(3-2-6-16)8-14-9-11/h7-9,12,16H,4-6H2,1H3
InChIKeyYHOABUHKVWVZQY-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.66
Rot. Bonds2

About N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide

N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide (PubChem CID 54974844) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
PubChem CID54974844
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(C#CCO)c1)C1CC1
InChIInChI=1S/C13H14N2O2/c1-15(12-4-5-12)13(17)11-7-10(3-2-6-16)8-14-9-11/h7-9,12,16H,4-6H2,1H3
InChIKeyYHOABUHKVWVZQY-UHFFFAOYSA-N
XLogP0.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.66
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

N-cyclopropyl-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63865500
5-(3-hydroxyprop-1-ynyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-3-carboxamide
CID 81062814
3-(3-hydroxyprop-1-ynyl)-N,5-dimethyl-N-(oxan-4-yl)benzamide
CID 115999931
5-(3-hydroxyprop-1-ynyl)-N-[(2-methylcyclopentyl)methyl]pyridine-3-carboxamide
CID 107420278
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 64520429
5-(3-hydroxyprop-1-ynyl)-N-(2-methylcyclopropyl)pyridine-3-carboxamide
CID 55071338
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66484013
[4-(1-hydroxyethyl)piperidin-1-yl]-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone
CID 106837183
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
CID 63655551
N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
CID 63938139
5-(3-hydroxyprop-1-ynyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-3-carboxamide
CID 62849404
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]methanone
CID 81108090

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide (CID 54974844) is N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide is CN(C(=O)c1cncc(C#CCO)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide?
The InChIKey is YHOABUHKVWVZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15(12-4-5-12)13(17)11-7-10(3-2-6-16)8-14-9-11/h7-9,12,16H,4-6H2,1H3.
What are the key properties of N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide?
N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 54974844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).