N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide

C23H25ClN4O3 — CID 140934055

IUPACN-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1ccnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)c1Cl
InChIInChI=1S/C23H25ClN4O3/c1-14-10-12-26-21(18(14)24)28(17-5-4-11-25-13-17)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19/h6-10,12,17,25H,4-5,11,13H2,1-3H3/t17-/m1/s1
InChIKeyZROQEFWIKLFYFH-QGZVFWFLSA-N
MW440.93 g/mol
LogP3.52
Rot. Bonds4

About N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide

N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140934055) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140934055
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1ccnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)c1Cl
InChIInChI=1S/C23H25ClN4O3/c1-14-10-12-26-21(18(14)24)28(17-5-4-11-25-13-17)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19/h6-10,12,17,25H,4-5,11,13H2,1-3H3/t17-/m1/s1
InChIKeyZROQEFWIKLFYFH-QGZVFWFLSA-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-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140934055) is N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1ccnc(N(C(=O)c2ccc(C3=NOC(C)(C)C3=O)cc2)[C@@H]2CCCNC2)c1Cl.
What is the InChIKey of N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is ZROQEFWIKLFYFH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-14-10-12-26-21(18(14)24)28(17-5-4-11-25-13-17)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19/h6-10,12,17,25H,4-5,11,13H2,1-3H3/t17-/m1/s1.
What are the key properties of N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide?
N-(3-chloro-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide 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-4-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140934055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).