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

C24H29Cl2N5O3 — CID 89054587

IUPAC4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCC2CCN(CC3CC(c4ccccc4)=NO3)CC2)c(Cl)c(N)c1Cl
InChIInChI=1S/C24H29Cl2N5O3/c1-2-33-24-20(26)21(27)19(25)22(29-24)23(32)28-13-15-8-10-31(11-9-15)14-17-12-18(30-34-17)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3,(H2,27,29)(H,28,32)
InChIKeyOLTQYAXCFNZTOO-UHFFFAOYSA-N
MW506.43 g/mol
LogP4.00
Rot. Bonds8

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

4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide (PubChem CID 89054587) has the molecular formula C24H29Cl2N5O3 and a molecular weight of 506.43 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
PubChem CID89054587
Molecular FormulaC24H29Cl2N5O3
Molecular Weight506.43 g/mol
Exact Mass505.16
IUPAC Name4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCC2CCN(CC3CC(c4ccccc4)=NO3)CC2)c(Cl)c(N)c1Cl
InChIInChI=1S/C24H29Cl2N5O3/c1-2-33-24-20(26)21(27)19(25)22(29-24)23(32)28-13-15-8-10-31(11-9-15)14-17-12-18(30-34-17)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3,(H2,27,29)(H,28,32)
InChIKeyOLTQYAXCFNZTOO-UHFFFAOYSA-N
XLogP4.00
TPSA102.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide (CID 89054587) is 4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCC2CCN(CC3CC(c4ccccc4)=NO3)CC2)c(Cl)c(N)c1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?
The InChIKey is OLTQYAXCFNZTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N5O3/c1-2-33-24-20(26)21(27)19(25)22(29-24)23(32)28-13-15-8-10-31(11-9-15)14-17-12-18(30-34-17)16-6-4-3-5-7-16/h3-7,15,17H,2,8-14H2,1H3,(H2,27,29)(H,28,32).
What are the key properties of 4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide?
4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide has a molecular weight of 506.43 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-6-ethoxy-N-[[1-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidin-4-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 89054587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).