2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide

C24H29N5O3 — CID 58504202

IUPAC2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NCC2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc(N)n1
InChIInChI=1S/C24H29N5O3/c1-2-31-23-13-19(12-22(25)27-23)24(30)26-15-17-8-10-29(11-9-17)16-20-14-21(28-32-20)18-6-4-3-5-7-18/h3-7,12-14,17H,2,8-11,15-16H2,1H3,(H2,25,27)(H,26,30)
InChIKeyLJAMFPJMEOWSAH-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.36
Rot. Bonds8

About 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide

2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide (PubChem CID 58504202) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
PubChem CID58504202
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide
SMILESCCOc1cc(C(=O)NCC2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc(N)n1
InChIInChI=1S/C24H29N5O3/c1-2-31-23-13-19(12-22(25)27-23)24(30)26-15-17-8-10-29(11-9-17)16-20-14-21(28-32-20)18-6-4-3-5-7-18/h3-7,12-14,17H,2,8-11,15-16H2,1H3,(H2,25,27)(H,26,30)
InChIKeyLJAMFPJMEOWSAH-UHFFFAOYSA-N
XLogP3.36
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

4-amino-5-cyano-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 46836252
2-methyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-1,3-benzothiazole-5-carboxamide
CID 70876612
5-phenyl-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]furan-2-carboxamide
CID 66989615
4-cyano-5-ethoxy-2-nitro-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]benzamide
CID 58503963
N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]-2-pyridin-3-ylacetamide
CID 131913778
2-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]acetyl chloride
CID 58504285
N-(3-ethoxypropyl)-1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
CID 55663692
1-(3,4-dichlorophenyl)-3-[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]propan-1-one
CID 58504172
4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896156
methyl 6-oxo-4-phenyl-2-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]isoquinoline-3-carboxylate
CID 67425764
2-amino-N-(cyclopropylmethyl)-6-propylpyridine-4-carboxamide
CID 113380957
3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896001

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide (CID 58504202) is 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide is CCOc1cc(C(=O)NCC2CCN(Cc3cc(-c4ccccc4)no3)CC2)cc(N)n1.
What is the InChIKey of 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide?
The InChIKey is LJAMFPJMEOWSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-2-31-23-13-19(12-22(25)27-23)24(30)26-15-17-8-10-29(11-9-17)16-20-14-21(28-32-20)18-6-4-3-5-7-18/h3-7,12-14,17H,2,8-11,15-16H2,1H3,(H2,25,27)(H,26,30).
What are the key properties of 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide?
2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethoxy-N-[[1-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 58504202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).