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

C23H23N5O2 — CID 56682633

IUPACN-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCN(C(c2ccc(C#N)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H23N5O2/c1-16-22(30-15-26-16)23(29)27-20-8-11-28(12-9-20)21(19-3-2-10-25-14-19)18-6-4-17(13-24)5-7-18/h2-7,10,14-15,20-21H,8-9,11-12H2,1H3,(H,27,29)
InChIKeyHHCVNVJXLOBCLV-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.23
Rot. Bonds5

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

N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 56682633) 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]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID56682633
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCc1ncoc1C(=O)NC1CCN(C(c2ccc(C#N)cc2)c2cccnc2)CC1
InChIInChI=1S/C23H23N5O2/c1-16-22(30-15-26-16)23(29)27-20-8-11-28(12-9-20)21(19-3-2-10-25-14-19)18-6-4-17(13-24)5-7-18/h2-7,10,14-15,20-21H,8-9,11-12H2,1H3,(H,27,29)
InChIKeyHHCVNVJXLOBCLV-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

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

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Related Compounds

ALP-POS-305f6ec3-19
CID 156906759
1-{1-[(4-Methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}-4-(2-methylphenyl)piperazine
CID 24791785
2-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-1-(6-methyl-2-pyridinyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16192325
(4-Methyl-1,3-oxazol-5-yl)-[4-[[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]amino]piperidin-1-yl]methanone
CID 56658803
N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-2-methyl-1,3-oxazole-4-carboxamide
CID 56676000
4-methyl-N-[1-[pyridin-3-yl-[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-oxazole-5-carboxamide
CID 56676116
1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(4-pyridinylmethyl)-2-piperazinecarboxamide
CID 56884395
1-[(2-ethyl-4-methyl-1,3-oxazol-5-yl)carbonyl]-N-(6-methyl-3-pyridinyl)-2-piperazinecarboxamide
CID 56895642
(9aR,13aS)-12-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-1-(4-pyridylmethyl)tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
CID 110202088
N-({2-Benzyl-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL}methyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 124043607
4-methyl-2-(trifluoromethyl)-N-[(5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinolin-5-yl]-1,3-oxazole-5-carboxamide
CID 177051268
N-({2-[benzyl(methyl)amino]-3-pyridinyl}methyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 25478043

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 56682633) is N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide is Cc1ncoc1C(=O)NC1CCN(C(c2ccc(C#N)cc2)c2cccnc2)CC1.
What is the InChIKey of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is HHCVNVJXLOBCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16-22(30-15-26-16)23(29)27-20-8-11-28(12-9-20)21(19-3-2-10-25-14-19)18-6-4-17(13-24)5-7-18/h2-7,10,14-15,20-21H,8-9,11-12H2,1H3,(H,27,29).
What are the key properties of N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[1-[(4-cyanophenyl)-pyridin-3-ylmethyl]piperidin-4-yl]-4-methyl-1,3-oxazole-5-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]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 56682633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).