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

C23H25ClN4O3 — CID 140934009

IUPACN-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide
SMILESCc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1Cl)C1CCCNC1
InChIInChI=1S/C23H25ClN4O3/c1-14-12-15(19-20(29)23(2,3)31-27-19)8-9-17(14)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21/h5,7-9,11-12,16,25H,4,6,10,13H2,1-3H3
InChIKeyRVTQNFKKSPBZLU-UHFFFAOYSA-N
MW440.93 g/mol
LogP3.52
Rot. Bonds4

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

N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide (PubChem CID 140934009) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide
PubChem CID140934009
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide
SMILESCc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1Cl)C1CCCNC1
InChIInChI=1S/C23H25ClN4O3/c1-14-12-15(19-20(29)23(2,3)31-27-19)8-9-17(14)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21/h5,7-9,11-12,16,25H,4,6,10,13H2,1-3H3
InChIKeyRVTQNFKKSPBZLU-UHFFFAOYSA-N
XLogP3.52
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide (CID 140934009) is N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide is Cc1cc(C2=NOC(C)(C)C2=O)ccc1C(=O)N(c1ncccc1Cl)C1CCCNC1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide?
The InChIKey is RVTQNFKKSPBZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-14-12-15(19-20(29)23(2,3)31-27-19)8-9-17(14)22(30)28(16-6-4-10-25-13-16)21-18(24)7-5-11-26-21/h5,7-9,11-12,16,25H,4,6,10,13H2,1-3H3.
What are the key properties of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide?
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide has a molecular weight of 440.93 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 140934009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).