4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one

C21H22ClN5O2 — CID 90682469

IUPAC4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one
SMILESCn1ncc(C(=O)N2CCC(Nc3cc(-c4ccccc4)[nH]c(=O)c3)CC2)c1Cl
InChIInChI=1S/C21H22ClN5O2/c1-26-20(22)17(13-23-26)21(29)27-9-7-15(8-10-27)24-16-11-18(25-19(28)12-16)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H2,24,25,28)
InChIKeySSGGRFRUJRCAIT-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.15
Rot. Bonds4

About 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one

4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one (PubChem CID 90682469) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one
PubChem CID90682469
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC Name4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one
SMILESCn1ncc(C(=O)N2CCC(Nc3cc(-c4ccccc4)[nH]c(=O)c3)CC2)c1Cl
InChIInChI=1S/C21H22ClN5O2/c1-26-20(22)17(13-23-26)21(29)27-9-7-15(8-10-27)24-16-11-18(25-19(28)12-16)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H2,24,25,28)
InChIKeySSGGRFRUJRCAIT-UHFFFAOYSA-N
XLogP3.15
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one (CID 90682469) is 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one is Cn1ncc(C(=O)N2CCC(Nc3cc(-c4ccccc4)[nH]c(=O)c3)CC2)c1Cl.
What is the InChIKey of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one?
The InChIKey is SSGGRFRUJRCAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-26-20(22)17(13-23-26)21(29)27-9-7-15(8-10-27)24-16-11-18(25-19(28)12-16)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3,(H2,24,25,28).
What are the key properties of 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one?
4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one has a molecular weight of 411.89 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(5-chloro-1-methylpyrazole-4-carbonyl)piperidin-4-yl]amino]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 90682469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).