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

C20H26N6O2 — CID 109106716

IUPACN-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H26N6O2/c1-15(2)4-7-22-18(27)16-12-17(14-21-13-16)19(28)25-8-10-26(11-9-25)20-23-5-3-6-24-20/h3,5-6,12-15H,4,7-11H2,1-2H3,(H,22,27)
InChIKeyFDSPPNRYYWATLL-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.61
Rot. Bonds6

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

N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109106716) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109106716
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCC(C)CCNC(=O)c1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C20H26N6O2/c1-15(2)4-7-22-18(27)16-12-17(14-21-13-16)19(28)25-8-10-26(11-9-25)20-23-5-3-6-24-20/h3,5-6,12-15H,4,7-11H2,1-2H3,(H,22,27)
InChIKeyFDSPPNRYYWATLL-UHFFFAOYSA-N
XLogP1.61
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
N-(2-methoxyethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103444
N-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103614
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
[5-(butan-2-ylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109225372
N-(oxolan-2-ylmethyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103923
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253878
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
[5-(3-methylbutylamino)pyrazin-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109286649
N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109088442
[5-(1-phenylethylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109232912
N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053540

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109106716) is N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is CC(C)CCNC(=O)c1cncc(C(=O)N2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is FDSPPNRYYWATLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-15(2)4-7-22-18(27)16-12-17(14-21-13-16)19(28)25-8-10-26(11-9-25)20-23-5-3-6-24-20/h3,5-6,12-15H,4,7-11H2,1-2H3,(H,22,27).
What are the key properties of N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109106716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).