5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide

C15H24N4O2 — CID 125443479

IUPAC5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide
SMILESC[C@@H](CCNC(=O)c1cncc(O)c1)N1CCN(C)CC1
InChIInChI=1S/C15H24N4O2/c1-12(19-7-5-18(2)6-8-19)3-4-17-15(21)13-9-14(20)11-16-10-13/h9-12,20H,3-8H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyDKFYJJDJKFTSOU-LBPRGKRZSA-N
MW292.38 g/mol
LogP0.54
Rot. Bonds5

About 5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide

5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide (PubChem CID 125443479) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide
PubChem CID125443479
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide
SMILESC[C@@H](CCNC(=O)c1cncc(O)c1)N1CCN(C)CC1
InChIInChI=1S/C15H24N4O2/c1-12(19-7-5-18(2)6-8-19)3-4-17-15(21)13-9-14(20)11-16-10-13/h9-12,20H,3-8H2,1-2H3,(H,17,21)/t12-/m0/s1
InChIKeyDKFYJJDJKFTSOU-LBPRGKRZSA-N
XLogP0.54
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-hydroxy-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63860872
2-anilino-N-[3-(4-methylpiperazin-1-yl)butyl]pyrimidine-5-carboxamide
CID 74246836
N-(2-ethylsulfinylethyl)-5-hydroxypyridine-3-carboxamide
CID 115633331
5-hydroxy-N-(3-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 55258279
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
5-hydroxy-N-(2-methylsulfonylethyl)pyridine-3-carboxamide
CID 63866364
N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane
CID 143571890
N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859
4-(2,4-difluorophenyl)-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 125163143
3-(3-hydroxy-3-methylbutyl)-N-[(3R)-3-(4-methylpiperazin-1-yl)butyl]benzamide
CID 95872723
5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide
CID 99812569
N-(2,2-dimethylpropyl)-5-hydroxypyridine-3-carboxamide
CID 63866542

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide (CID 125443479) is 5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide is C[C@@H](CCNC(=O)c1cncc(O)c1)N1CCN(C)CC1.
What is the InChIKey of 5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide?
The InChIKey is DKFYJJDJKFTSOU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(19-7-5-18(2)6-8-19)3-4-17-15(21)13-9-14(20)11-16-10-13/h9-12,20H,3-8H2,1-2H3,(H,17,21)/t12-/m0/s1.
What are the key properties of 5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide?
5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide is sourced from PubChem (CID 125443479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).