4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide

C19H31N3O2 — CID 56910861

IUPAC4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)CC(O)C1CCN(c2ccnc(C(=O)NC(C)C)c2)CC1
InChIInChI=1S/C19H31N3O2/c1-13(2)11-18(23)15-6-9-22(10-7-15)16-5-8-20-17(12-16)19(24)21-14(3)4/h5,8,12-15,18,23H,6-7,9-11H2,1-4H3,(H,21,24)
InChIKeyOAUSJPPHMLBBSZ-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.84
Rot. Bonds6

About 4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide

4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 56910861) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID56910861
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)CC(O)C1CCN(c2ccnc(C(=O)NC(C)C)c2)CC1
InChIInChI=1S/C19H31N3O2/c1-13(2)11-18(23)15-6-9-22(10-7-15)16-5-8-20-17(12-16)19(24)21-14(3)4/h5,8,12-15,18,23H,6-7,9-11H2,1-4H3,(H,21,24)
InChIKeyOAUSJPPHMLBBSZ-UHFFFAOYSA-N
XLogP2.84
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-acetylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201306
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 124749236
N-ethyl-4-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853012
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112798367
N-propan-2-yl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109201439
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 126794943
N-(furan-2-ylmethyl)-4-[4-(1-hydroxy-2-methylpropyl)piperidin-1-yl]pyridine-2-carboxamide
CID 56869038
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078164
N-ethyl-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63853530

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide (CID 56910861) is 4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide is CC(C)CC(O)C1CCN(c2ccnc(C(=O)NC(C)C)c2)CC1.
What is the InChIKey of 4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is OAUSJPPHMLBBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)11-18(23)15-6-9-22(10-7-15)16-5-8-20-17(12-16)19(24)21-14(3)4/h5,8,12-15,18,23H,6-7,9-11H2,1-4H3,(H,21,24).
What are the key properties of 4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-hydroxy-3-methylbutyl)piperidin-1-yl]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 56910861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).