N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C29H32FN3O3 — CID 44634801

IUPACN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(OCF)cc1
InChIInChI=1S/C29H32FN3O3/c1-29(2,3)32-27(34)26(21-10-7-17-31-18-21)33(22-13-15-23(16-14-22)36-19-30)28(35)25-12-6-9-20-8-4-5-11-24(20)25/h6-7,9-10,12-18,26H,4-5,8,11,19H2,1-3H3,(H,32,34)
InChIKeyNOTQMXJCQAEFRX-UHFFFAOYSA-N
MW489.59 g/mol
LogP5.57
Rot. Bonds7

About N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide

N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 44634801) has the molecular formula C29H32FN3O3 and a molecular weight of 489.59 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID44634801
Molecular FormulaC29H32FN3O3
Molecular Weight489.59 g/mol
Exact Mass489.24
IUPAC NameN-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESCC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(OCF)cc1
InChIInChI=1S/C29H32FN3O3/c1-29(2,3)32-27(34)26(21-10-7-17-31-18-21)33(22-13-15-23(16-14-22)36-19-30)28(35)25-12-6-9-20-8-4-5-11-24(20)25/h6-7,9-10,12-18,26H,4-5,8,11,19H2,1-3H3,(H,32,34)
InChIKeyNOTQMXJCQAEFRX-UHFFFAOYSA-N
XLogP5.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.59
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-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

Ave-0118
CID 9811357
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
4-(3-fluoro-4-pyridinyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]benzamide
CID 68513301
GR-125743
CID 5311130
[3H]GR 125,743
CID 53321959
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
4-(6-(18F)fluoro-3-pyridinyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl](18F)benzamide
CID 16105555
5-N-[(3R)-3-[4-[4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]anilino]piperidin-1-yl]butyl]-4,6-dimethyl-2-N-propan-2-ylpyridine-2,5-dicarboxamide
CID 57402801
N-[1-(2-Methoxy-phenylcarbamoyl)-2-pyridin-4-yl-vinyl]-benzamide
CID 5761053
3-[(4-Methoxyphenyl)amino]-2-pyridin-3-ylisoindolin-1-one
CID 16194375
1-isonicotinoyl-N-(4-methoxyphenyl)-3-piperidinamine
CID 24816856

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 44634801) is N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide is CC(C)(C)NC(=O)C(c1cccnc1)N(C(=O)c1cccc2c1CCCC2)c1ccc(OCF)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is NOTQMXJCQAEFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O3/c1-29(2,3)32-27(34)26(21-10-7-17-31-18-21)33(22-13-15-23(16-14-22)36-19-30)28(35)25-12-6-9-20-8-4-5-11-24(20)25/h6-7,9-10,12-18,26H,4-5,8,11,19H2,1-3H3,(H,32,34).
What are the key properties of N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 489.59 g/mol, XLogP of 5.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-[4-(fluoromethoxy)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 44634801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).