1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea

C18H25F3N4O — CID 36975883

IUPAC1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCc1ccnc(N2CCCC2)c1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N4O/c19-18(20,21)14-3-5-15(6-4-14)24-17(26)23-12-13-7-8-22-16(11-13)25-9-1-2-10-25/h7-8,11,14-15H,1-6,9-10,12H2,(H2,23,24,26)
InChIKeyWUCBRIYTOFDMDA-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.60
Rot. Bonds4

About 1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea

1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (PubChem CID 36975883) has the molecular formula C18H25F3N4O and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
PubChem CID36975883
Molecular FormulaC18H25F3N4O
Molecular Weight370.42 g/mol
Exact Mass370.20
IUPAC Name1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea
SMILESO=C(NCc1ccnc(N2CCCC2)c1)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H25F3N4O/c19-18(20,21)14-3-5-15(6-4-14)24-17(26)23-12-13-7-8-22-16(11-13)25-9-1-2-10-25/h7-8,11,14-15H,1-6,9-10,12H2,(H2,23,24,26)
InChIKeyWUCBRIYTOFDMDA-UHFFFAOYSA-N
XLogP3.60
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(2-cyclopentylethyl)urea
CID 86898877
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(2-hydroxycyclohexyl)urea
CID 111108523
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 86964410
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 55909091
1-benzyl-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 24664741
1-[(1-hydroxycycloheptyl)methyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 111426686
1-cyclohexyl-2-methyl-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 110959200
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 24651164
1-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 86927601
2-[4-[N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N'-methylcarbamimidoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 111984993
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
CID 86967032
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326

Frequently Asked Questions

What is the IUPAC name of 1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea (CID 36975883) is 1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is O=C(NCc1ccnc(N2CCCC2)c1)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is WUCBRIYTOFDMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N4O/c19-18(20,21)14-3-5-15(6-4-14)24-17(26)23-12-13-7-8-22-16(11-13)25-9-1-2-10-25/h7-8,11,14-15H,1-6,9-10,12H2,(H2,23,24,26).
What are the key properties of 1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea?
1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 370.42 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-3-[4-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 36975883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).