N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C18H18F3N3O2 — CID 155464489

IUPACN-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)[C@@H](N)CCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H18F3N3O2/c1-9-2-3-10-12(8-9)13(22)5-6-14(10)23-16(25)11-4-7-15(18(19,20)21)24-17(11)26/h2-4,7-8,13-14H,5-6,22H2,1H3,(H,23,25)(H,24,26)/t13-,14?/m0/s1
InChIKeyNCNILXYCDGWCAI-LSLKUGRBSA-N
MW365.36 g/mol
LogP2.97
Rot. Bonds2

About N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464489) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464489
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1)[C@@H](N)CCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C18H18F3N3O2/c1-9-2-3-10-12(8-9)13(22)5-6-14(10)23-16(25)11-4-7-15(18(19,20)21)24-17(11)26/h2-4,7-8,13-14H,5-6,22H2,1H3,(H,23,25)(H,24,26)/t13-,14?/m0/s1
InChIKeyNCNILXYCDGWCAI-LSLKUGRBSA-N
XLogP2.97
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464489) is N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1)[C@@H](N)CCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is NCNILXYCDGWCAI-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-9-2-3-10-12(8-9)13(22)5-6-14(10)23-16(25)11-4-7-15(18(19,20)21)24-17(11)26/h2-4,7-8,13-14H,5-6,22H2,1H3,(H,23,25)(H,24,26)/t13-,14?/m0/s1.
What are the key properties of N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-amino-6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).