1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea

C21H24N6O2 — CID 55832394

IUPAC1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C21H24N6O2/c1-15(2)24-21(29)25-18-5-3-17(4-6-18)20(28)27-11-9-26(10-12-27)19-13-16(14-22)7-8-23-19/h3-8,13,15H,9-12H2,1-2H3,(H2,24,25,29)
InChIKeyYYODVSRNMAMBGZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.45
Rot. Bonds4

About 1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea

1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea (PubChem CID 55832394) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
PubChem CID55832394
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C21H24N6O2/c1-15(2)24-21(29)25-18-5-3-17(4-6-18)20(28)27-11-9-26(10-12-27)19-13-16(14-22)7-8-23-19/h3-8,13,15H,9-12H2,1-2H3,(H2,24,25,29)
InChIKeyYYODVSRNMAMBGZ-UHFFFAOYSA-N
XLogP2.45
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[4-(ethylsulfanylmethyl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55890411
2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 167778065
N-[3-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55539770
4-(4-cyano-2-pyridinyl)-N-[2-methyl-5-(phenylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 154807018
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
N-[4-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 55680044
4-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349528
tert-butyl 4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 75365577
2-[4-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 18209813
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
1-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea
CID 119646975

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The IUPAC name of 1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea (CID 55832394) is 1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
The InChIKey is YYODVSRNMAMBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15(2)24-21(29)25-18-5-3-17(4-6-18)20(28)27-11-9-26(10-12-27)19-13-16(14-22)7-8-23-19/h3-8,13,15H,9-12H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea?
1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea has a molecular weight of 392.46 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 55832394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).