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

C23H25ClN4O3 — CID 140933927

IUPACN-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cc(Cl)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C23H25ClN4O3/c1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19/h6-9,11-12,18,25H,4-5,10,13H2,1-3H3/t18-/m1/s1
InChIKeyBDNDGTASFNVFKK-GOSISDBHSA-N
MW440.93 g/mol
LogP3.52
Rot. Bonds4

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

N-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933927) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is N-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933927
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC NameN-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cc(Cl)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C23H25ClN4O3/c1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19/h6-9,11-12,18,25H,4-5,10,13H2,1-3H3/t18-/m1/s1
InChIKeyBDNDGTASFNVFKK-GOSISDBHSA-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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Launch Full Analysis

Related Compounds

4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 140933909
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-piperidin-3-ylbenzamide
CID 140934009
tert-butyl (3R)-3-[(5-chloro-3-methyl-2-pyridinyl)-[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]amino]piperidine-1-carboxylate
CID 140933912
4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-fluoro-N-(3-methyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide
CID 140933923
4-[(4Z)-4-hydroxyimino-5,5-dimethyl-1,2-oxazol-3-yl]-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
CID 140933942
(NZ)-N-[5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]amino]ethenyl]phenyl]-1,2-oxazol-4-ylidene]hydroxylamine
CID 172973603
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)-3-methyl-N-piperidin-3-ylbenzamide;3-[4-[1-[1,3-dihydrofuro[3,4-c]pyridin-4-yl(piperidin-3-yl)amino]ethenyl]phenyl]-5,5-dimethyl-1,2-oxazol-4-one;5,5-dimethyl-3-[4-[1-[(3-methyl-2-pyridinyl)-piperidin-3-ylamino]ethenyl]phenyl]-4H-1,2-oxazol-4-ol;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 158405797
2-fluoro-4-[5-[[6-[[4-[4-(2-methoxyethoxy)-5,5-dimethyl-4H-1,2-oxazol-3-yl]benzoyl]-[(3R)-piperidin-3-yl]amino]-5-methyl-2-pyridinyl]methyl]-5-methyl-4-oxo-1,2-oxazol-3-yl]-N-[3-methyl-5-[[5-methyl-3-[4-[(3-methyl-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-4-oxo-1,2-oxazol-5-yl]methyl]-2-pyridinyl]-N-[(3R)-piperidin-3-yl]benzamide
CID 146279893
tert-butyl (3R)-3-[[4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)benzoyl]-(3-ethyl-2-pyridinyl)amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[(3-ethyl-2-pyridinyl)amino]piperidine-1-carboxylate;carbanide;3-chloro-4-ethylpyridine;4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-(3-ethyl-2-pyridinyl)-N-[(3R)-piperidin-3-yl]benzamide;tungsten
CID 159598674
4-(1-methylpyrazol-4-yl)-N-(3-methyl-2-pyridinyl)-N-piperidin-3-ylbenzamide
CID 172533416
N-(6-chloro-8-methylisoquinolin-1-yl)-4-(1-methyltriazol-4-yl)-N-piperidin-3-ylbenzamide
CID 172531923
N-(3-methyl-2-pyridinyl)-4-(oxetan-3-ylamino)-N-[(3R)-piperidin-3-yl]benzamide
CID 172532265

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-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-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933927) is N-(5-chloro-3-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-(5-chloro-3-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-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide is Cc1cc(Cl)cnc1N(C(=O)c1ccc(C2=NOC(C)(C)C2=O)cc1)[C@@H]1CCCNC1.
What is the InChIKey of N-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is BDNDGTASFNVFKK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-14-11-17(24)12-26-21(14)28(18-5-4-10-25-13-18)22(30)16-8-6-15(7-9-16)19-20(29)23(2,3)31-27-19/h6-9,11-12,18,25H,4-5,10,13H2,1-3H3/t18-/m1/s1.
What are the key properties of N-(5-chloro-3-methyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide?
N-(5-chloro-3-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-(5-chloro-3-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 140933927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).