N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide

C17H22N2O — CID 75417781

IUPACN-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCN(C(=O)c1ccc(C)nc1C)C1CCCCC1
InChIInChI=1S/C17H22N2O/c1-4-12-19(15-8-6-5-7-9-15)17(20)16-11-10-13(2)18-14(16)3/h1,10-11,15H,5-9,12H2,2-3H3
InChIKeyPUEYESUDAPUHHC-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.11
Rot. Bonds3

About N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide

N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 75417781) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID75417781
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCN(C(=O)c1ccc(C)nc1C)C1CCCCC1
InChIInChI=1S/C17H22N2O/c1-4-12-19(15-8-6-5-7-9-15)17(20)16-11-10-13(2)18-14(16)3/h1,10-11,15H,5-9,12H2,2-3H3
InChIKeyPUEYESUDAPUHHC-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-cyclohexyl-2,6-dimethylpyridine-3-carboxamide
CID 62830761
N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830779
N-ethyl-2,6-dimethyl-N-piperidin-4-ylpyridine-3-carboxamide
CID 62828526
2-[(2,6-dimethylpyridine-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79279582
N-cyclohexyl-5-[(3,4-dimethylphenoxy)methyl]-N-prop-2-ynyl-1,2-oxazole-3-carboxamide
CID 24817610
N,N-diethyl-2,6-dimethylpyridine-3-carboxamide
CID 60924937
N-[(2-bromocyclopentyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 113275446
2,6-dimethyl-N,N-dipropylpyridine-3-carboxamide
CID 87024383
N-cyclobutyl-2-methoxy-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 122135450
1-(2,6-dimethyl-3-pyridinyl)prop-2-yn-1-one
CID 105108206
4-chloro-N-(cyanomethyl)-N-cyclopentyl-2-methylbenzamide
CID 103780332
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide (CID 75417781) is N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide is C#CCN(C(=O)c1ccc(C)nc1C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is PUEYESUDAPUHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-4-12-19(15-8-6-5-7-9-15)17(20)16-11-10-13(2)18-14(16)3/h1,10-11,15H,5-9,12H2,2-3H3.
What are the key properties of N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide?
N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,6-dimethyl-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 75417781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).