N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

C23H23N5O2 — CID 56672770

IUPACN-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(c3ccc(C#N)cc3)c3cccnc3)CC2)no1
InChIInChI=1S/C23H23N5O2/c1-16-13-21(27-30-16)23(29)26-20-8-11-28(12-9-20)22(19-3-2-10-25-15-19)18-6-4-17(14-24)5-7-18/h2-7,10,13,15,20,22H,8-9,11-12H2,1H3,(H,26,29)
InChIKeyGTJHTQIZKZLTSL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.23
Rot. Bonds5

About N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 56672770) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID56672770
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(C(c3ccc(C#N)cc3)c3cccnc3)CC2)no1
InChIInChI=1S/C23H23N5O2/c1-16-13-21(27-30-16)23(29)26-20-8-11-28(12-9-20)22(19-3-2-10-25-15-19)18-6-4-17(14-24)5-7-18/h2-7,10,13,15,20,22H,8-9,11-12H2,1H3,(H,26,29)
InChIKeyGTJHTQIZKZLTSL-UHFFFAOYSA-N
XLogP3.23
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 56672770) is N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(C(c3ccc(C#N)cc3)c3cccnc3)CC2)no1.
What is the InChIKey of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is GTJHTQIZKZLTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-13-21(27-30-16)23(29)26-20-8-11-28(12-9-20)22(19-3-2-10-25-15-19)18-6-4-17(14-24)5-7-18/h2-7,10,13,15,20,22H,8-9,11-12H2,1H3,(H,26,29).
What are the key properties of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56672770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).