3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide

C16H22N2O2 — CID 66484592

IUPAC3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccncc1C#CCCO)C(C)C
InChIInChI=1S/C16H22N2O2/c1-4-10-18(13(2)3)16(20)15-8-9-17-12-14(15)7-5-6-11-19/h8-9,12-13,19H,4,6,10-11H2,1-3H3
InChIKeyLSYRJKFDIUKDMD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.08
Rot. Bonds5

About 3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide

3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide (PubChem CID 66484592) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide
PubChem CID66484592
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide
SMILESCCCN(C(=O)c1ccncc1C#CCCO)C(C)C
InChIInChI=1S/C16H22N2O2/c1-4-10-18(13(2)3)16(20)15-8-9-17-12-14(15)7-5-6-11-19/h8-9,12-13,19H,4,6,10-11H2,1-3H3
InChIKeyLSYRJKFDIUKDMD-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.08
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-butan-2-yl-3-(4-hydroxybut-1-ynyl)-N-methylpyridine-4-carboxamide
CID 66483431
N,N-diethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66484764
3-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 66484600
N-(2-amino-2-oxoethyl)-N-ethyl-3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 103103852
3-(4-hydroxybut-1-ynyl)-N-methyl-N-phenylpyridine-4-carboxamide
CID 66483410
4-chloro-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 81225564
3-(4-hydroxybut-1-ynyl)-N-methyl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 66482459
3-(4-hydroxybut-1-ynyl)pyridine-4-carboxamide
CID 66482048
N-ethyl-3-(4-hydroxybut-1-ynyl)-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66484406
3-(4-hydroxybut-1-ynyl)-N-(2-methylsulfonylethyl)pyridine-4-carboxamide
CID 66483043
3-(4-hydroxybut-1-ynyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482883
3-(3-hydroxyprop-1-ynyl)-N-methyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 66482656

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide (CID 66484592) is 3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide is CCCN(C(=O)c1ccncc1C#CCCO)C(C)C.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide?
The InChIKey is LSYRJKFDIUKDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-10-18(13(2)3)16(20)15-8-9-17-12-14(15)7-5-6-11-19/h8-9,12-13,19H,4,6,10-11H2,1-3H3.
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide?
3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxybut-1-ynyl)-N-propan-2-yl-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 66484592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).