3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide

C12H18N2O2 — CID 60923482

IUPAC3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ncccc1O)C(C)C
InChIInChI=1S/C12H18N2O2/c1-4-8-14(9(2)3)12(16)11-10(15)6-5-7-13-11/h5-7,9,15H,4,8H2,1-3H3
InChIKeyVRVJPGNLYPEHOL-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.05
Rot. Bonds4

About 3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide

3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide (PubChem CID 60923482) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide
PubChem CID60923482
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1ncccc1O)C(C)C
InChIInChI=1S/C12H18N2O2/c1-4-8-14(9(2)3)12(16)11-10(15)6-5-7-13-11/h5-7,9,15H,4,8H2,1-3H3
InChIKeyVRVJPGNLYPEHOL-UHFFFAOYSA-N
XLogP2.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 107517877
2-[(3-hydroxypyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 54893003
3-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 55009007
2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide
CID 107689064
3-[(3-bromopyridine-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 107517011
6-methyl-N-propan-2-yl-N-propylpyridine-3-carboxamide
CID 10421027
N-butyl-N-cyclopropyl-3-hydroxypyridine-2-carboxamide
CID 61443052
N-[3-(dimethylamino)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55228119
N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55009248
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
N-(2-ethoxyethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 81056077

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide (CID 60923482) is 3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide is CCCN(C(=O)c1ncccc1O)C(C)C.
What is the InChIKey of 3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide?
The InChIKey is VRVJPGNLYPEHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-8-14(9(2)3)12(16)11-10(15)6-5-7-13-11/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of 3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide?
3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-propan-2-yl-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 60923482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).