N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide

C16H20N2O2 — CID 63938139

IUPACN-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
SMILESCCN(CC1CC1)C(=O)c1cncc(C#CCCO)c1
InChIInChI=1S/C16H20N2O2/c1-2-18(12-13-6-7-13)16(20)15-9-14(10-17-11-15)5-3-4-8-19/h9-11,13,19H,2,4,6-8,12H2,1H3
InChIKeyVEWHVWKSONLFRA-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.69
Rot. Bonds5

About N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide

N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide (PubChem CID 63938139) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
PubChem CID63938139
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
SMILESCCN(CC1CC1)C(=O)c1cncc(C#CCCO)c1
InChIInChI=1S/C16H20N2O2/c1-2-18(12-13-6-7-13)16(20)15-9-14(10-17-11-15)5-3-4-8-19/h9-11,13,19H,2,4,6-8,12H2,1H3
InChIKeyVEWHVWKSONLFRA-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.69
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-[2-(dimethylamino)ethyl]-5-(4-hydroxybut-1-ynyl)-N-methylpyridine-3-carboxamide
CID 63698983
5-(4-hydroxybut-1-ynyl)-N-propylpyridine-3-carboxamide
CID 54974842
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 64520429
5-(4-hydroxybut-1-ynyl)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 112663397
5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023468
5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
CID 63655551
N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
CID 54974844
N-(cyclobutylmethyl)-N-ethyl-4-(3-hydroxyprop-1-ynyl)benzamide
CID 107400546
4-(5-but-1-ynyl-3-pyridinyl)but-3-yn-1-ol
CID 144746531
N-(2,2-dimethylcyclopentyl)-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
CID 79870832
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903
5-(4-hydroxybut-1-ynyl)-N-(5-methylhexan-2-yl)pyridine-3-carboxamide
CID 63927155

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide (CID 63938139) is N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide is CCN(CC1CC1)C(=O)c1cncc(C#CCCO)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide?
The InChIKey is VEWHVWKSONLFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-18(12-13-6-7-13)16(20)15-9-14(10-17-11-15)5-3-4-8-19/h9-11,13,19H,2,4,6-8,12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide?
N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide is sourced from PubChem (CID 63938139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).