4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

C20H24N4O2 — CID 109208933

IUPAC4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N2CCN(C=O)CC2)ccn1
InChIInChI=1S/C20H24N4O2/c1-15(2)17-5-3-4-6-18(17)22-20(26)19-13-16(7-8-21-19)24-11-9-23(14-25)10-12-24/h3-8,13-15H,9-12H2,1-2H3,(H,22,26)
InChIKeyBMCGRMNJJIKBFO-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.74
Rot. Bonds5

About 4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide

4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (PubChem CID 109208933) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
PubChem CID109208933
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N2CCN(C=O)CC2)ccn1
InChIInChI=1S/C20H24N4O2/c1-15(2)17-5-3-4-6-18(17)22-20(26)19-13-16(7-8-21-19)24-11-9-23(14-25)10-12-24/h3-8,13-15H,9-12H2,1-2H3,(H,22,26)
InChIKeyBMCGRMNJJIKBFO-UHFFFAOYSA-N
XLogP2.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208945
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109215694
5-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109278953
4-(4-formylpiperazin-1-yl)-N-propan-2-ylpyridine-2-carboxamide
CID 109201305
2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084801
4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109208986
4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109208961
N-(3,5-dimethylphenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208926
N-(2,6-difluorophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209004
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208975
4-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-2-carboxamide
CID 109208362
N-(4-cyanophenyl)-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209001

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide (CID 109208933) is 4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is CC(C)c1ccccc1NC(=O)c1cc(N2CCN(C=O)CC2)ccn1.
What is the InChIKey of 4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
The InChIKey is BMCGRMNJJIKBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(2)17-5-3-4-6-18(17)22-20(26)19-13-16(7-8-21-19)24-11-9-23(14-25)10-12-24/h3-8,13-15H,9-12H2,1-2H3,(H,22,26).
What are the key properties of 4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide?
4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109208933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).