N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C18H30N4O2 — CID 111485980

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C18H30N4O2/c1-5-14(2)18(3,24)13-20-17(23)15-6-7-19-16(12-15)22-10-8-21(4)9-11-22/h6-7,12,14,24H,5,8-11,13H2,1-4H3,(H,20,23)
InChIKeyVWMJYSURRWEALP-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.36
Rot. Bonds6

About N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 111485980) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID111485980
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCC(C)C(C)(O)CNC(=O)c1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C18H30N4O2/c1-5-14(2)18(3,24)13-20-17(23)15-6-7-19-16(12-15)22-10-8-21(4)9-11-22/h6-7,12,14,24H,5,8-11,13H2,1-4H3,(H,20,23)
InChIKeyVWMJYSURRWEALP-UHFFFAOYSA-N
XLogP1.36
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 111912291
N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 97212701
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
4-(4-ethylpiperazin-1-yl)-N-(2-hydroxy-2,3-dimethylpentyl)benzamide
CID 111477879
(2S)-2-[[2-(4-methylpiperazin-1-yl)pyridine-4-carbonyl]amino]hexanoic acid
CID 120614998
N-[2-(4-aminophenyl)ethyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide;dihydrochloride
CID 119549443
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
3-N-(2-hydroxy-2,3-dimethylpentyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111477971
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165662
3-fluoro-N-(2-hydroxy-2,3-dimethylpentyl)-4-morpholin-4-ylbenzamide
CID 111463648

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 111485980) is N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CCC(C)C(C)(O)CNC(=O)c1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is VWMJYSURRWEALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-14(2)18(3,24)13-20-17(23)15-6-7-19-16(12-15)22-10-8-21(4)9-11-22/h6-7,12,14,24H,5,8-11,13H2,1-4H3,(H,20,23).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 111485980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).