5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide

C15H16N2O — CID 3852765

IUPAC5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1cncc(C#CCCCC)c1
InChIInChI=1S/C15H16N2O/c1-3-5-6-7-8-13-10-14(12-16-11-13)15(18)17-9-4-2/h2,10-12H,3,5-6,9H2,1H3,(H,17,18)
InChIKeyOYUBQLMVDFDTKG-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.99
Rot. Bonds4

About 5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide

5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 3852765) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID3852765
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1cncc(C#CCCCC)c1
InChIInChI=1S/C15H16N2O/c1-3-5-6-7-8-13-10-14(12-16-11-13)15(18)17-9-4-2/h2,10-12H,3,5-6,9H2,1H3,(H,17,18)
InChIKeyOYUBQLMVDFDTKG-UHFFFAOYSA-N
XLogP1.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(5-hex-1-ynylpyridine-3-carbonyl)amino]hexanoate
CID 3710858
5-(4-hydroxybut-1-ynyl)-N-propylpyridine-3-carboxamide
CID 54974842
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 74227684
N-[4-[2-[(4-chlorobenzoyl)amino]ethylcarbamoyl]piperidin-4-yl]-5-hex-1-ynylpyridine-3-carboxamide
CID 3676682
N-(2-amino-2-oxoethyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54975137
ethyl 2-[2-[(5-hex-1-ynylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 5006622
5-hex-1-ynyl-N-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 3857340
5-(4-hydroxybut-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023468
5-(3-hydroxyprop-1-ynyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 54975093
5-(3-hydroxyprop-1-ynyl)-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106342053
5-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-3-yl)pyridine-3-carboxamide
CID 106331039
N-(3-amino-3-oxopropyl)-5-(3-hydroxyprop-1-ynyl)pyridine-3-carboxamide
CID 54974696

Frequently Asked Questions

What is the IUPAC name of 5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide (CID 3852765) is 5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1cncc(C#CCCCC)c1.
What is the InChIKey of 5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is OYUBQLMVDFDTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-5-6-7-8-13-10-14(12-16-11-13)15(18)17-9-4-2/h2,10-12H,3,5-6,9H2,1H3,(H,17,18).
What are the key properties of 5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide?
5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 240.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-ynyl-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 3852765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).