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

C23H25ClN4O3 — CID 140934026

IUPACN-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O
InChIInChI=1S/C23H25ClN4O3/c1-14-12-15(8-9-17(14)19-20(29)23(2,3)31-27-19)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/t16-/m1/s1
InChIKeyAQPCNDPZZWDVQH-MRXNPFEDSA-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)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide

N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140934026) 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)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140934026
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)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
SMILESCc1cc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O
InChIInChI=1S/C23H25ClN4O3/c1-14-12-15(8-9-17(14)19-20(29)23(2,3)31-27-19)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/t16-/m1/s1
InChIKeyAQPCNDPZZWDVQH-MRXNPFEDSA-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

N-[(2R)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 10347471
N-[(2S)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-[2-[(dimethylamino)methyl]phenyl]benzamide
CID 44393407
N-(5-(5-(5,5-Dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazine-2-yl)-2,6-difluorobenzamide
CID 57330317
US10292981, Example 4
CID 57330319
N-[5-[5-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-2-ethylphenyl]pyrazin-2-yl]-2,6-difluorobenzamide
CID 57330320
2-Chloro-N-(5-(5-(5,5-dimethyl-4-oxo-4,5-dihydroisoxazol-3-yl)-2-methylphenyl)pyrazin-2-yl)benzamide
CID 57330623
US10292981, Example 80
CID 67515178
US10292981, Example 114
CID 67515995
US10292981, Example 67
CID 69675936
N-[(2R)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-(N,N-dimethylcarbamimidoyl)benzamide
CID 44393323
N-[(2R)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 44393351
N-[(2S)-4-[(5-chloro-2-pyridinyl)amino]-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-4-(1-methyl-4,5-dihydroimidazol-2-yl)benzamide
CID 44393385

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)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide (CID 140934026) is N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide is Cc1cc(C(=O)N(c2ncccc2Cl)[C@@H]2CCCNC2)ccc1C1=NOC(C)(C)C1=O.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is AQPCNDPZZWDVQH-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-14-12-15(8-9-17(14)19-20(29)23(2,3)31-27-19)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/t16-/m1/s1.
What are the key properties of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide?
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-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-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-3-methyl-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140934026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).