5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide

C14H22N2O2 — CID 63859266

IUPAC5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCCCCCN(C(=O)c1cncc(O)c1)C(C)C
InChIInChI=1S/C14H22N2O2/c1-4-5-6-7-16(11(2)3)14(18)12-8-13(17)10-15-9-12/h8-11,17H,4-7H2,1-3H3
InChIKeyLFMNPNMULQKFNT-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.83
Rot. Bonds6

About 5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide

5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 63859266) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
PubChem CID63859266
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
SMILESCCCCCN(C(=O)c1cncc(O)c1)C(C)C
InChIInChI=1S/C14H22N2O2/c1-4-5-6-7-16(11(2)3)14(18)12-8-13(17)10-15-9-12/h8-11,17H,4-7H2,1-3H3
InChIKeyLFMNPNMULQKFNT-UHFFFAOYSA-N
XLogP2.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(5-hydroxypyridine-3-carbonyl)-propan-2-ylamino]acetate
CID 63850866
5,6-dichloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746429
5-hydroxy-N-(2-hydroxyethyl)-N-pentan-3-ylpyridine-3-carboxamide
CID 63850846
4-[(5-bromopyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 60826579
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
6-chloro-N-pentyl-N-propan-2-ylpyridine-3-carboxamide
CID 60746433
4-amino-N-pentyl-N-propan-2-ylbenzamide
CID 54905871
3-bromo-5-chloro-N-pentyl-N-propan-2-ylbenzamide
CID 114019948
N-butyl-5-hydroxy-N-phenylpyridine-3-carboxamide
CID 64586177
5-hydroxy-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-ylpyridine-3-carboxamide
CID 63859047
4-amino-N-pentyl-N-propan-2-ylbenzamide;hydrochloride
CID 119723192
2-chloro-5-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 106501622

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide (CID 63859266) is 5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide is CCCCCN(C(=O)c1cncc(O)c1)C(C)C.
What is the InChIKey of 5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LFMNPNMULQKFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-6-7-16(11(2)3)14(18)12-8-13(17)10-15-9-12/h8-11,17H,4-7H2,1-3H3.
What are the key properties of 5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide?
5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 250.34 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-pentyl-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 63859266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).