N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide

C22H28N4O2 — CID 109088442

IUPACN-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ccn1
InChIInChI=1S/C22H28N4O2/c1-17(2)8-10-24-21(27)20-16-18(9-11-23-20)22(28)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-7,9,11,16-17H,8,10,12-15H2,1-2H3,(H,24,27)
InChIKeyAYQWNYJHYABNAP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.82
Rot. Bonds6

About N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109088442) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109088442
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ccn1
InChIInChI=1S/C22H28N4O2/c1-17(2)8-10-24-21(27)20-16-18(9-11-23-20)22(28)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-7,9,11,16-17H,8,10,12-15H2,1-2H3,(H,24,27)
InChIKeyAYQWNYJHYABNAP-UHFFFAOYSA-N
XLogP2.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109082685
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083732
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(3-methylbutylamino)-4-pyridinyl]methanone
CID 109175248
N-[2-(dimethylamino)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109083595
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109082360
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109174454
4-(4-ethylpiperazine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109084444

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109088442) is N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide is CC(C)CCNC(=O)c1cc(C(=O)N2CCN(c3ccccc3)CC2)ccn1.
What is the InChIKey of N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is AYQWNYJHYABNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-17(2)8-10-24-21(27)20-16-18(9-11-23-20)22(28)26-14-12-25(13-15-26)19-6-4-3-5-7-19/h3-7,9,11,16-17H,8,10,12-15H2,1-2H3,(H,24,27).
What are the key properties of N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109088442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).