N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide

C20H25N5O2 — CID 109080186

IUPACN-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C20H25N5O2/c1-3-15(2)23-19(26)17-14-16(7-9-21-17)20(27)25-12-10-24(11-13-25)18-6-4-5-8-22-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,26)
InChIKeyQFIXYGWHDOFHDB-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.97
Rot. Bonds5

About N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109080186) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109080186
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCC(C)NC(=O)c1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1
InChIInChI=1S/C20H25N5O2/c1-3-15(2)23-19(26)17-14-16(7-9-21-17)20(27)25-12-10-24(11-13-25)18-6-4-5-8-22-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,26)
InChIKeyQFIXYGWHDOFHDB-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109079999
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
N-butan-2-yl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109080205
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109083595
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
[4-(propan-2-ylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109201553
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
4-(4-benzylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078255
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109080186) is N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide is CCC(C)NC(=O)c1cc(C(=O)N2CCN(c3ccccn3)CC2)ccn1.
What is the InChIKey of N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is QFIXYGWHDOFHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-15(2)23-19(26)17-14-16(7-9-21-17)20(27)25-12-10-24(11-13-25)18-6-4-5-8-22-18/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,26).
What are the key properties of N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109080186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).