3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide

C16H25N3O2 — CID 95226078

IUPAC3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)CN1CCC[C@@H](CNC(=O)c2ncccc2O)C1
InChIInChI=1S/C16H25N3O2/c1-12(2)10-19-8-4-5-13(11-19)9-18-16(21)15-14(20)6-3-7-17-15/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyBLYGGDYJHTUKJS-ZDUSSCGKSA-N
MW291.39 g/mol
LogP1.88
Rot. Bonds5

About 3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide

3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 95226078) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
PubChem CID95226078
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide
SMILESCC(C)CN1CCC[C@@H](CNC(=O)c2ncccc2O)C1
InChIInChI=1S/C16H25N3O2/c1-12(2)10-19-8-4-5-13(11-19)9-18-16(21)15-14(20)6-3-7-17-15/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyBLYGGDYJHTUKJS-ZDUSSCGKSA-N
XLogP1.88
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-Hydroxypyridin-2-yl)formamido]acetic acid
CID 9837038
3-Hydroxypicolinamide
CID 70277
N-(3-Hydroxypicolinoyl)-S-(Pyridin-2-Ylmethyl)-L-Cysteine
CID 73659100
[(1-Benzyl-5-hydroxy-3-methyl-2-oxo-1,2-dihydro-[1,7]naphthyridine-6-carbonyl)-amino]-acetic acid
CID 60152763
N-[3-[4-[cyano-(2-methyl-3-pyridinyl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]-3-hydroxypyridine-2-carboxamide
CID 11755085
US10889546, Example 5
CID 129027154
US10889546, Example 4
CID 129027310
US10889546, Example 64
CID 129027326
2-[(5-Ethynyl-3-hydroxypyridine-2-carbonyl)amino]acetic acid
CID 141740991
N-[(4-fluorophenyl)methyl]-3-hydroxy-pyridine-2-carboxamide
CID 5274890
Fijimycin B
CID 57402559
6-Azaspiro[3.4]octan-6-yl-(3-hydroxy-2-pyridinyl)methanone
CID 127464455

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide (CID 95226078) is 3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide is CC(C)CN1CCC[C@@H](CNC(=O)c2ncccc2O)C1.
What is the InChIKey of 3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is BLYGGDYJHTUKJS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)10-19-8-4-5-13(11-19)9-18-16(21)15-14(20)6-3-7-17-15/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of 3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide?
3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 95226078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).