1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea

C19H21ClF2N4O — CID 142206299

IUPAC1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea
SMILESCC(F)(F)C1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C19H21ClF2N4O/c1-19(21,22)13-8-10-26(11-9-13)17-7-6-16(12-23-17)25-18(27)24-15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3,(H2,24,25,27)
InChIKeyMNVOKFITFYUCKC-UHFFFAOYSA-N
MW394.85 g/mol
LogP5.25
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea

1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea (PubChem CID 142206299) has the molecular formula C19H21ClF2N4O and a molecular weight of 394.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea
PubChem CID142206299
Molecular FormulaC19H21ClF2N4O
Molecular Weight394.85 g/mol
Exact Mass394.14
IUPAC Name1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea
SMILESCC(F)(F)C1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C19H21ClF2N4O/c1-19(21,22)13-8-10-26(11-9-13)17-7-6-16(12-23-17)25-18(27)24-15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3,(H2,24,25,27)
InChIKeyMNVOKFITFYUCKC-UHFFFAOYSA-N
XLogP5.25
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.85
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]urea
CID 113010170
1-(2,4-dichlorophenyl)-3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]urea
CID 78833294
2-(4-chlorophenyl)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 55871199
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
1-[6-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 46042109
1-(4-chlorophenyl)-3-[6-(2-methylimidazol-1-yl)-3-pyridinyl]urea
CID 90565133
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
1-(4-fluorophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874842
1-(4-chlorophenyl)-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564862
1-[6-[4-(3-chlorophenyl)piperazin-1-yl]-3-pyridinyl]-3-cyclopropylurea
CID 113014392
N-[6-(azepan-1-yl)-3-pyridinyl]-2,2-dimethylpropanamide
CID 113015875
3-chloro-2,2-dimethyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 63679043

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea (CID 142206299) is 1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea is CC(F)(F)C1CCN(c2ccc(NC(=O)Nc3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea?
The InChIKey is MNVOKFITFYUCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N4O/c1-19(21,22)13-8-10-26(11-9-13)17-7-6-16(12-23-17)25-18(27)24-15-4-2-14(20)3-5-15/h2-7,12-13H,8-11H2,1H3,(H2,24,25,27).
What are the key properties of 1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea?
1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea has a molecular weight of 394.85 g/mol, XLogP of 5.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[6-[4-(1,1-difluoroethyl)piperidin-1-yl]-3-pyridinyl]urea is sourced from PubChem (CID 142206299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).