1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea

C23H24ClN5O2 — CID 150128851

IUPAC1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea
SMILESCOc1ccc(C2CN(c3ccncc3)CCC2NC(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C23H24ClN5O2/c1-31-19-5-2-16(3-6-19)20-15-29(18-8-11-25-12-9-18)13-10-21(20)28-23(30)27-17-4-7-22(24)26-14-17/h2-9,11-12,14,20-21H,10,13,15H2,1H3,(H2,27,28,30)
InChIKeyFAUPZBGNMMPCNL-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.32
Rot. Bonds5

About 1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea

1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea (PubChem CID 150128851) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea
PubChem CID150128851
Molecular FormulaC23H24ClN5O2
Molecular Weight437.93 g/mol
Exact Mass437.16
IUPAC Name1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea
SMILESCOc1ccc(C2CN(c3ccncc3)CCC2NC(=O)Nc2ccc(Cl)nc2)cc1
InChIInChI=1S/C23H24ClN5O2/c1-31-19-5-2-16(3-6-19)20-15-29(18-8-11-25-12-9-18)13-10-21(20)28-23(30)27-17-4-7-22(24)26-14-17/h2-9,11-12,14,20-21H,10,13,15H2,1H3,(H2,27,28,30)
InChIKeyFAUPZBGNMMPCNL-UHFFFAOYSA-N
XLogP4.32
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea
CID 139466554
1-[(3R,4R)-1,3-bis(4-methoxyphenyl)piperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139466768
1-[1-acetyl-4-(4-methoxyphenyl)piperidin-3-yl]-3-(6-methyl-3-pyridinyl)urea
CID 134347520
1-(4-chlorophenyl)-3-[(4R)-1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 139475514
1-(4-chlorophenyl)-3-[1-[(5-chloro-3-pyridinyl)methyl]-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 139468150
tert-butyl (4R)-4-[(4-chlorophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139476004
1-[(4R)-1,5-bis(4-methoxyphenyl)-2-oxopiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 139475787
tert-butyl 4-[(4-bromophenyl)carbamoylamino]-3-(4-methoxyphenyl)piperidine-1-carboxylate
CID 139466484
1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 159900730
1-(3,4-dichlorophenyl)-3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 3687659
1-(4-chlorophenyl)-3-[1-(2,2-difluoropropanoyl)-4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347535
1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347434

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea (CID 150128851) is 1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea is COc1ccc(C2CN(c3ccncc3)CCC2NC(=O)Nc2ccc(Cl)nc2)cc1.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea?
The InChIKey is FAUPZBGNMMPCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-31-19-5-2-16(3-6-19)20-15-29(18-8-11-25-12-9-18)13-10-21(20)28-23(30)27-17-4-7-22(24)26-14-17/h2-9,11-12,14,20-21H,10,13,15H2,1H3,(H2,27,28,30).
What are the key properties of 1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea?
1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea has a molecular weight of 437.93 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea is sourced from PubChem (CID 150128851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).