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

C23H23N5O2 — CID 56676000

IUPACN-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCN(C(c3ccc(C#N)cc3)c3cccnc3)CC2)co1
InChIInChI=1S/C23H23N5O2/c1-16-26-21(15-30-16)23(29)27-20-8-11-28(12-9-20)22(19-3-2-10-25-14-19)18-6-4-17(13-24)5-7-18/h2-7,10,14-15,20,22H,8-9,11-12H2,1H3,(H,27,29)
InChIKeyHZYJKXPAMDWJKF-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.23
Rot. Bonds5

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

N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 56676000) 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]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID56676000
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CCN(C(c3ccc(C#N)cc3)c3cccnc3)CC2)co1
InChIInChI=1S/C23H23N5O2/c1-16-26-21(15-30-16)23(29)27-20-8-11-28(12-9-20)22(19-3-2-10-25-14-19)18-6-4-17(13-24)5-7-18/h2-7,10,14-15,20,22H,8-9,11-12H2,1H3,(H,27,29)
InChIKeyHZYJKXPAMDWJKF-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]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide (CID 56676000) is N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NC2CCN(C(c3ccc(C#N)cc3)c3cccnc3)CC2)co1.
What is the InChIKey of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is HZYJKXPAMDWJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-26-21(15-30-16)23(29)27-20-8-11-28(12-9-20)22(19-3-2-10-25-14-19)18-6-4-17(13-24)5-7-18/h2-7,10,14-15,20,22H,8-9,11-12H2,1H3,(H,27,29).
What are the key properties of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-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]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56676000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).