N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide

C23H25ClN4O4 — CID 140933998

IUPACN-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide
SMILESCOc1ccc(Cl)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)C2CCCNC2)n1
InChIInChI=1S/C23H25ClN4O4/c1-23(2)20(29)19(27-32-23)14-6-8-15(9-7-14)22(30)28(16-5-4-12-25-13-16)21-17(24)10-11-18(26-21)31-3/h6-11,16,25H,4-5,12-13H2,1-3H3
InChIKeyKBWHOMOCWWKVCM-UHFFFAOYSA-N
MW456.93 g/mol
LogP3.22
Rot. Bonds5

About N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide

N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide (PubChem CID 140933998) has the molecular formula C23H25ClN4O4 and a molecular weight of 456.93 g/mol. Its IUPAC name is N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide
PubChem CID140933998
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93 g/mol
Exact Mass456.16
IUPAC NameN-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide
SMILESCOc1ccc(Cl)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)C2CCCNC2)n1
InChIInChI=1S/C23H25ClN4O4/c1-23(2)20(29)19(27-32-23)14-6-8-15(9-7-14)22(30)28(16-5-4-12-25-13-16)21-17(24)10-11-18(26-21)31-3/h6-11,16,25H,4-5,12-13H2,1-3H3
InChIKeyKBWHOMOCWWKVCM-UHFFFAOYSA-N
XLogP3.22
TPSA93.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide?
The IUPAC name of N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide (CID 140933998) is N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide?
The canonical SMILES for N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide is COc1ccc(Cl)c(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)C2CCCNC2)n1.
What is the InChIKey of N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide?
The InChIKey is KBWHOMOCWWKVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4/c1-23(2)20(29)19(27-32-23)14-6-8-15(9-7-14)22(30)28(16-5-4-12-25-13-16)21-17(24)10-11-18(26-21)31-3/h6-11,16,25H,4-5,12-13H2,1-3H3.
What are the key properties of N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide?
N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide has a molecular weight of 456.93 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-6-methoxy-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 140933998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).