N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide

C20H32N4O2 — CID 176964817

IUPACN-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCC(C)(C)C1C[C@H](N2CCN(c3ccc(C(=O)NC)nc3)CC2)CO1
InChIInChI=1S/C20H32N4O2/c1-5-20(2,3)18-12-16(14-26-18)24-10-8-23(9-11-24)15-6-7-17(22-13-15)19(25)21-4/h6-7,13,16,18H,5,8-12,14H2,1-4H3,(H,21,25)/t16-,18?/m0/s1
InChIKeyDZDATKKZFXONHL-ATNAJCNCSA-N
MW360.50 g/mol
LogP2.16
Rot. Bonds5

About N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176964817) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID176964817
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCC(C)(C)C1C[C@H](N2CCN(c3ccc(C(=O)NC)nc3)CC2)CO1
InChIInChI=1S/C20H32N4O2/c1-5-20(2,3)18-12-16(14-26-18)24-10-8-23(9-11-24)15-6-7-17(22-13-15)19(25)21-4/h6-7,13,16,18H,5,8-12,14H2,1-4H3,(H,21,25)/t16-,18?/m0/s1
InChIKeyDZDATKKZFXONHL-ATNAJCNCSA-N
XLogP2.16
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-5-[4-[5-(2-methylbutan-2-yl)-2-bicyclo[3.1.0]hexanyl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964726
5-[4-(4-tert-butylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748280
5-[4-[3-(2,2-dimethylpropyl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748206
N-methyl-5-[4-[(3R,5R)-5-(6-methyl-4-oxo-3H-quinazolin-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide
CID 176964948
5-[4-(3-tert-butyl-3-methylpiperidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748291
5-[4-(3-tert-butyl-3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748323
5-[4-[4-(5-ethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 169149167
N-methyl-5-[4-(3-methylpyrrol-1-yl)piperidin-1-yl]pyridine-2-carboxamide
CID 169148857
5-[4-(1-tert-butyl-3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748312
5-[4-(4-tert-butyl-2-azabicyclo[2.2.1]heptan-2-yl)piperidin-1-yl]-N-methylpyridine-2-carboxamide
CID 176748288
1-(5-chloro-2-pyridinyl)-4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazine;N-methyl-5-[1-[3-(2-methylbutan-2-yl)cyclopentyl]azetidin-3-yl]oxypyridine-2-carboxamide
CID 176964479
5-[3-(hydroxymethyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 167179178

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide (CID 176964817) is N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide is CCC(C)(C)C1C[C@H](N2CCN(c3ccc(C(=O)NC)nc3)CC2)CO1.
What is the InChIKey of N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is DZDATKKZFXONHL-ATNAJCNCSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-5-20(2,3)18-12-16(14-26-18)24-10-8-23(9-11-24)15-6-7-17(22-13-15)19(25)21-4/h6-7,13,16,18H,5,8-12,14H2,1-4H3,(H,21,25)/t16-,18?/m0/s1.
What are the key properties of N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[(3S)-5-(2-methylbutan-2-yl)oxolan-3-yl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176964817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).