1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea

C18H24N6O — CID 113014511

IUPAC1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea
SMILESCC(C)NC(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C18H24N6O/c1-14(2)21-18(25)22-15-6-7-17(20-13-15)24-11-9-23(10-12-24)16-5-3-4-8-19-16/h3-8,13-14H,9-12H2,1-2H3,(H2,21,22,25)
InChIKeyPKOGLHSRLBJLFM-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds4

About 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea

1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea (PubChem CID 113014511) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea
PubChem CID113014511
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea
SMILESCC(C)NC(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)nc1
InChIInChI=1S/C18H24N6O/c1-14(2)21-18(25)22-15-6-7-17(20-13-15)24-11-9-23(10-12-24)16-5-3-4-8-19-16/h3-8,13-14H,9-12H2,1-2H3,(H2,21,22,25)
InChIKeyPKOGLHSRLBJLFM-UHFFFAOYSA-N
XLogP2.33
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea with MolForge

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Related Compounds

1-(1-hydroxypropan-2-yl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 47221133
1-[(2R)-1-pyrazol-1-ylpropan-2-yl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 94164669
N-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 113014476
1-(4-fluorophenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 121112892
1-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-propan-2-ylurea
CID 113014280
1-[1-(3-methyl-1H-inden-2-yl)ethyl]-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 166532937
2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957240
N-[1-[(6-methoxy-3-pyridinyl)amino]-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368744
1-[6-[4-(3-methylbutyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 42857808
N-(1-phenylethyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108988786
N-propan-2-yl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109295388
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea?
The IUPAC name of 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea (CID 113014511) is 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea is CC(C)NC(=O)Nc1ccc(N2CCN(c3ccccn3)CC2)nc1.
What is the InChIKey of 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea?
The InChIKey is PKOGLHSRLBJLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-14(2)21-18(25)22-15-6-7-17(20-13-15)24-11-9-23(10-12-24)16-5-3-4-8-19-16/h3-8,13-14H,9-12H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea?
1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea has a molecular weight of 340.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]urea is sourced from PubChem (CID 113014511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).