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

C22H23ClN4O3 — CID 140933991

IUPACN-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)C1=O
InChIInChI=1S/C22H23ClN4O3/c1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20/h4,6-10,12,16,24H,3,5,11,13H2,1-2H3/t16-/m1/s1
InChIKeyVRFNHZFFBMTUIP-MRXNPFEDSA-N
MW426.90 g/mol
LogP3.22
Rot. Bonds4

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

N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933991) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(3-chloro-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-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933991
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
SMILESCC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)C1=O
InChIInChI=1S/C22H23ClN4O3/c1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20/h4,6-10,12,16,24H,3,5,11,13H2,1-2H3/t16-/m1/s1
InChIKeyVRFNHZFFBMTUIP-MRXNPFEDSA-N
XLogP3.22
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.22
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)-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)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933991) is N-(3-chloro-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-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-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide is CC1(C)ON=C(c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)C1=O.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is VRFNHZFFBMTUIP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-22(2)19(28)18(26-30-22)14-7-9-15(10-8-14)21(29)27(16-5-3-11-24-13-16)20-17(23)6-4-12-25-20/h4,6-10,12,16,24H,3,5,11,13H2,1-2H3/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)-N-[(3R)-piperidin-3-yl]benzamide?
N-(3-chloro-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 426.90 g/mol, XLogP of 3.22, 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)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140933991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).