5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide

C12H15N3O3 — CID 103877415

IUPAC5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O3/c1-18-8-10(16)4-5-14-12(17)11-3-2-9(6-13)7-15-11/h2-3,7,10,16H,4-5,8H2,1H3,(H,14,17)
InChIKeyVBYNLRMSYRSGPH-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.08
Rot. Bonds6

About 5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide

5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide (PubChem CID 103877415) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
PubChem CID103877415
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
SMILESCOCC(O)CCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O3/c1-18-8-10(16)4-5-14-12(17)11-3-2-9(6-13)7-15-11/h2-3,7,10,16H,4-5,8H2,1H3,(H,14,17)
InChIKeyVBYNLRMSYRSGPH-UHFFFAOYSA-N
XLogP0.08
TPSA95.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
3-cyano-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876697
5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
CID 82942469
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
6-chloro-N-(3-hydroxy-4-methoxybutyl)pyrazine-2-carboxamide
CID 106551616
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
N-(3-hydroxy-4-methoxybutyl)quinoxaline-2-carboxamide
CID 103877657
3-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166460
5-cyano-N-[[2-(2-methoxyethylamino)phenyl]methyl]pyridine-2-carboxamide
CID 71968822
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide (CID 103877415) is 5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide is COCC(O)CCNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide?
The InChIKey is VBYNLRMSYRSGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-8-10(16)4-5-14-12(17)11-3-2-9(6-13)7-15-11/h2-3,7,10,16H,4-5,8H2,1H3,(H,14,17).
What are the key properties of 5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide?
5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide is sourced from PubChem (CID 103877415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).