N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide

C22H19N5O3 — CID 72717068

IUPACN-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)c2coc(NC(=O)c3ccncc3)n2)CC1
InChIInChI=1S/C22H19N5O3/c23-15-22(17-4-2-1-3-5-17)8-12-27(13-9-22)20(29)18-14-30-21(25-18)26-19(28)16-6-10-24-11-7-16/h1-7,10-11,14H,8-9,12-13H2,(H,25,26,28)
InChIKeyHYGMOYKRALMQAU-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.02
Rot. Bonds4

About N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide

N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide (PubChem CID 72717068) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide
PubChem CID72717068
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide
SMILESN#CC1(c2ccccc2)CCN(C(=O)c2coc(NC(=O)c3ccncc3)n2)CC1
InChIInChI=1S/C22H19N5O3/c23-15-22(17-4-2-1-3-5-17)8-12-27(13-9-22)20(29)18-14-30-21(25-18)26-19(28)16-6-10-24-11-7-16/h1-7,10-11,14H,8-9,12-13H2,(H,25,26,28)
InChIKeyHYGMOYKRALMQAU-UHFFFAOYSA-N
XLogP3.02
TPSA112.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide (CID 72717068) is N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide is N#CC1(c2ccccc2)CCN(C(=O)c2coc(NC(=O)c3ccncc3)n2)CC1.
What is the InChIKey of N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide?
The InChIKey is HYGMOYKRALMQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c23-15-22(17-4-2-1-3-5-17)8-12-27(13-9-22)20(29)18-14-30-21(25-18)26-19(28)16-6-10-24-11-7-16/h1-7,10-11,14H,8-9,12-13H2,(H,25,26,28).
What are the key properties of N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide?
N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-4-phenylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 72717068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).