1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea

C18H19ClF2N4O2 — CID 139466700

IUPAC1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea
SMILESCOc1cc(F)c(C2CNCCC2NC(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C18H19ClF2N4O2/c1-27-11-6-13(20)17(14(21)7-11)12-9-22-5-4-15(12)24-18(26)25-16-3-2-10(19)8-23-16/h2-3,6-8,12,15,22H,4-5,9H2,1H3,(H2,23,24,25,26)
InChIKeyBQXNFCPEZVVBIA-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.29
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea

1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea (PubChem CID 139466700) has the molecular formula C18H19ClF2N4O2 and a molecular weight of 396.83 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea
PubChem CID139466700
Molecular FormulaC18H19ClF2N4O2
Molecular Weight396.83 g/mol
Exact Mass396.12
IUPAC Name1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea
SMILESCOc1cc(F)c(C2CNCCC2NC(=O)Nc2ccc(Cl)cn2)c(F)c1
InChIInChI=1S/C18H19ClF2N4O2/c1-27-11-6-13(20)17(14(21)7-11)12-9-22-5-4-15(12)24-18(26)25-16-3-2-10(19)8-23-16/h2-3,6-8,12,15,22H,4-5,9H2,1H3,(H2,23,24,25,26)
InChIKeyBQXNFCPEZVVBIA-UHFFFAOYSA-N
XLogP3.29
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4R)-3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea
CID 139475910
1-(4-chlorophenyl)-3-[(3S,4S)-4-(2,6-difluoro-4-methoxyphenyl)piperidin-3-yl]urea
CID 134347569
1-(4-chlorophenyl)-3-[(3R,4R)-3-(4-methoxyphenyl)piperidin-4-yl]urea
CID 159900730
1-(2-chloro-1,3-thiazol-5-yl)-3-[3-[(2R)-2-(2,6-difluoro-4-methoxyphenyl)-2-fluoroethyl]piperidin-4-yl]urea
CID 139466486
1-(5-chloro-2-pyridinyl)-3-[3-(4-methoxyphenyl)-1-pyridin-4-ylpiperidin-4-yl]urea
CID 139466554
ethane;1-[(4R)-1-(2-fluoroethyl)-3-(2-fluoro-4-methoxy-6-methylphenyl)piperidin-4-yl]-3-(5-methyl-2-pyridinyl)urea;molecular hydrogen
CID 153340133
1-(6-chloro-3-pyridinyl)-3-[4-(2,6-difluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]urea
CID 122583030
1-(4-chlorophenyl)-3-[4-(4-methoxyphenyl)piperidin-3-yl]urea
CID 134347434
N-(5-chloro-2-pyridinyl)-3-(pyrrolidin-3-ylcarbamoylamino)benzamide
CID 166338346
1-(4-chlorophenyl)-3-[3-[(4-methoxyphenyl)-pyrimidin-2-ylmethyl]piperidin-4-yl]urea
CID 139466472
(5-chloro-2-pyridinyl)carbamoyl 2-pyrrolidin-3-ylacetate
CID 175726244
1-(5-chloro-2-pyridinyl)-3-[4-(2-pyrrolidin-3-ylethyl)phenyl]urea
CID 53250440

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea (CID 139466700) is 1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea is COc1cc(F)c(C2CNCCC2NC(=O)Nc2ccc(Cl)cn2)c(F)c1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea?
The InChIKey is BQXNFCPEZVVBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N4O2/c1-27-11-6-13(20)17(14(21)7-11)12-9-22-5-4-15(12)24-18(26)25-16-3-2-10(19)8-23-16/h2-3,6-8,12,15,22H,4-5,9H2,1H3,(H2,23,24,25,26).
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea?
1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea has a molecular weight of 396.83 g/mol, XLogP of 3.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-[3-(2,6-difluoro-4-methoxyphenyl)piperidin-4-yl]urea is sourced from PubChem (CID 139466700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).