N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide

C28H33N3O3 — CID 143500929

IUPACN-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide
SMILESCC[C@H]1CC[C@@H](N)C[C@H](Oc2cccc(CNC(=O)c3ccc(Oc4ccccc4)nc3)c2)C1
InChIInChI=1S/C28H33N3O3/c1-2-20-11-13-23(29)17-26(15-20)33-25-10-6-7-21(16-25)18-31-28(32)22-12-14-27(30-19-22)34-24-8-4-3-5-9-24/h3-10,12,14,16,19-20,23,26H,2,11,13,15,17-18,29H2,1H3,(H,31,32)/t20-,23+,26+/m0/s1
InChIKeyRMLLVAYDBUUUPG-VAPDBKPJSA-N
MW459.59 g/mol
LogP5.48
Rot. Bonds8

About N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide

N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide (PubChem CID 143500929) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide
PubChem CID143500929
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide
SMILESCC[C@H]1CC[C@@H](N)C[C@H](Oc2cccc(CNC(=O)c3ccc(Oc4ccccc4)nc3)c2)C1
InChIInChI=1S/C28H33N3O3/c1-2-20-11-13-23(29)17-26(15-20)33-25-10-6-7-21(16-25)18-31-28(32)22-12-14-27(30-19-22)34-24-8-4-3-5-9-24/h3-10,12,14,16,19-20,23,26H,2,11,13,15,17-18,29H2,1H3,(H,31,32)/t20-,23+,26+/m0/s1
InChIKeyRMLLVAYDBUUUPG-VAPDBKPJSA-N
XLogP5.48
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 143500933
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
N-[[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methyl]-4-phenoxybenzamide;hydrochloride
CID 73155028
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
6-(4-methoxyphenyl)-N-[[3-[[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]phenyl]methyl]pyridine-3-carboxamide
CID 23728803
3-cyclopropyl-2-[(6-phenoxypyridine-3-carbonyl)amino]propanoic acid
CID 120535841
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78888482
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
N-[[3-[(1S)-3-(methylamino)cycloheptyl]oxyphenyl]methyl]-5-phenylpyridine-2-carboxamide
CID 143500957
2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
CID 120533319

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide?
The IUPAC name of N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide (CID 143500929) is N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide.
What is the SMILES notation for N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide?
The canonical SMILES for N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide is CC[C@H]1CC[C@@H](N)C[C@H](Oc2cccc(CNC(=O)c3ccc(Oc4ccccc4)nc3)c2)C1.
What is the InChIKey of N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide?
The InChIKey is RMLLVAYDBUUUPG-VAPDBKPJSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-2-20-11-13-23(29)17-26(15-20)33-25-10-6-7-21(16-25)18-31-28(32)22-12-14-27(30-19-22)34-24-8-4-3-5-9-24/h3-10,12,14,16,19-20,23,26H,2,11,13,15,17-18,29H2,1H3,(H,31,32)/t20-,23+,26+/m0/s1.
What are the key properties of N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide?
N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(1R,3R,6S)-3-amino-6-ethylcycloheptyl]oxyphenyl]methyl]-6-phenoxypyridine-3-carboxamide is sourced from PubChem (CID 143500929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).