N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

C21H27N5O2 — CID 71704653

IUPACN-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H27N5O2/c1-16(2)15-23-20(27)17-6-5-7-18(14-17)24-21(28)26-12-10-25(11-13-26)19-8-3-4-9-22-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyKSUNKGMUZXIBSE-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.82
Rot. Bonds5

About N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 71704653) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID71704653
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESCC(C)CNC(=O)c1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C21H27N5O2/c1-16(2)15-23-20(27)17-6-5-7-18(14-17)24-21(28)26-12-10-25(11-13-26)19-8-3-4-9-22-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyKSUNKGMUZXIBSE-UHFFFAOYSA-N
XLogP2.82
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
dimethyl 5-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3866296
2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004798
N-[3-(ethoxymethyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 122131762
N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108872350
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 778358
[4-(propan-2-ylamino)-2-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109201553
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
N-butan-2-yl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109079999
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165674

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 71704653) is N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is CC(C)CNC(=O)c1cccc(NC(=O)N2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is KSUNKGMUZXIBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16(2)15-23-20(27)17-6-5-7-18(14-17)24-21(28)26-12-10-25(11-13-26)19-8-3-4-9-22-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropylcarbamoyl)phenyl]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71704653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).