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

C25H28N4O3 — CID 140933981

IUPACN-(3-cyclopropyl-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(c3ncccc3C3CC3)[C@@H]3CCCNC3)cc2)C1=O
InChIInChI=1S/C25H28N4O3/c1-25(2)22(30)21(28-32-25)17-9-11-18(12-10-17)24(31)29(19-5-3-13-26-15-19)23-20(16-7-8-16)6-4-14-27-23/h4,6,9-12,14,16,19,26H,3,5,7-8,13,15H2,1-2H3/t19-/m1/s1
InChIKeyQYVAZMCUSPJYIJ-LJQANCHMSA-N
MW432.52 g/mol
LogP3.44
Rot. Bonds5

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

N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 140933981) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID140933981
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-(3-cyclopropyl-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(c3ncccc3C3CC3)[C@@H]3CCCNC3)cc2)C1=O
InChIInChI=1S/C25H28N4O3/c1-25(2)22(30)21(28-32-25)17-9-11-18(12-10-17)24(31)29(19-5-3-13-26-15-19)23-20(16-7-8-16)6-4-14-27-23/h4,6,9-12,14,16,19,26H,3,5,7-8,13,15H2,1-2H3/t19-/m1/s1
InChIKeyQYVAZMCUSPJYIJ-LJQANCHMSA-N
XLogP3.44
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-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-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide (CID 140933981) is N-(3-cyclopropyl-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-cyclopropyl-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-cyclopropyl-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(c3ncccc3C3CC3)[C@@H]3CCCNC3)cc2)C1=O.
What is the InChIKey of N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is QYVAZMCUSPJYIJ-LJQANCHMSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-25(2)22(30)21(28-32-25)17-9-11-18(12-10-17)24(31)29(19-5-3-13-26-15-19)23-20(16-7-8-16)6-4-14-27-23/h4,6,9-12,14,16,19,26H,3,5,7-8,13,15H2,1-2H3/t19-/m1/s1.
What are the key properties of N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide?
N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 432.52 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-2-pyridinyl)-4-(5,5-dimethyl-4-oxo-1,2-oxazol-3-yl)-N-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 140933981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).