N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide

C21H27N5O2 — CID 109106706

IUPACN-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H27N5O2/c1-16(2)6-8-24-20(27)17-13-18(15-22-14-17)21(28)26-11-9-25(10-12-26)19-5-3-4-7-23-19/h3-5,7,13-16H,6,8-12H2,1-2H3,(H,24,27)
InChIKeyONGSXYHRQNQFPO-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.21
Rot. Bonds6

About N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide

N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109106706) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109106706
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H27N5O2/c1-16(2)6-8-24-20(27)17-13-18(15-22-14-17)21(28)26-11-9-25(10-12-26)19-5-3-4-7-23-19/h3-5,7,13-16H,6,8-12H2,1-2H3,(H,24,27)
InChIKeyONGSXYHRQNQFPO-UHFFFAOYSA-N
XLogP2.21
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106716
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
N,N-diethyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106704
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
[5-(2-ethylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238611
N-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103444
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339
N-(3-methylbutyl)-1-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978920
[5-(N-methylanilino)-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109238602
[5-[3-(dimethylamino)propylamino]-3-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109229939
N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103614
N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109088442

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109106706) is N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is CC(C)CCNC(=O)c1cncc(C(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is ONGSXYHRQNQFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16(2)6-8-24-20(27)17-13-18(15-22-14-17)21(28)26-11-9-25(10-12-26)19-5-3-4-7-23-19/h3-5,7,13-16H,6,8-12H2,1-2H3,(H,24,27).
What are the key properties of N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109106706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).