1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea

C17H25ClN4O2 — CID 129258078

IUPAC1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea
SMILESCC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C)c(Cl)n2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-4-11(2)16(23)22-9-7-13(8-10-22)19-17(24)21-14-6-5-12(3)15(18)20-14/h5-6,11,13H,4,7-10H2,1-3H3,(H2,19,20,21,24)/t11-/m0/s1
InChIKeySWWORGHMEASJIE-NSHDSACASA-N
MW352.87 g/mol
LogP3.20
Rot. Bonds4

About 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea

1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea (PubChem CID 129258078) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea
PubChem CID129258078
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea
SMILESCC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C)c(Cl)n2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-4-11(2)16(23)22-9-7-13(8-10-22)19-17(24)21-14-6-5-12(3)15(18)20-14/h5-6,11,13H,4,7-10H2,1-3H3,(H2,19,20,21,24)/t11-/m0/s1
InChIKeySWWORGHMEASJIE-NSHDSACASA-N
XLogP3.20
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea with MolForge

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Related Compounds

1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-[3-methyl-4-(trifluoromethoxy)phenyl]urea
CID 144935184
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
1-[1-(2-methylbutanoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71680197
N-(6-chloro-5-methyl-2-pyridinyl)cyclopropanecarboxamide
CID 87276605
ethyl 4-[[6-(cyclopropylcarbamoylamino)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 113043558
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836
1-(4-bromo-2-chlorophenyl)-3-[1-(2-ethylbutanoyl)piperidin-4-yl]urea
CID 52662196
ethyl 4-[(2,6-dichloro-4-pyridinyl)carbamoylamino]piperidine-1-carboxylate
CID 23876750
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
1-(2-methoxypyrimidin-4-yl)-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 136540973
N-ethyl-4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoylamino]benzamide
CID 55796342
1-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56518671

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea?
The IUPAC name of 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea (CID 129258078) is 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea is CC[C@H](C)C(=O)N1CCC(NC(=O)Nc2ccc(C)c(Cl)n2)CC1.
What is the InChIKey of 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea?
The InChIKey is SWWORGHMEASJIE-NSHDSACASA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-4-11(2)16(23)22-9-7-13(8-10-22)19-17(24)21-14-6-5-12(3)15(18)20-14/h5-6,11,13H,4,7-10H2,1-3H3,(H2,19,20,21,24)/t11-/m0/s1.
What are the key properties of 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea?
1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea has a molecular weight of 352.87 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-2-pyridinyl)-3-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]urea is sourced from PubChem (CID 129258078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).