N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C23H22N2O2 — CID 60581044

IUPACN-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCc3ccccc32)ccc1Oc1cccnc1
InChIInChI=1S/C23H22N2O2/c1-16-14-18(11-12-22(16)27-19-8-5-13-24-15-19)25-23(26)21-10-4-7-17-6-2-3-9-20(17)21/h2-3,5-6,8-9,11-15,21H,4,7,10H2,1H3,(H,25,26)
InChIKeyXKJSZLZYVVYUMH-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.24
Rot. Bonds4

About N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 60581044) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID60581044
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCc1cc(NC(=O)C2CCCc3ccccc32)ccc1Oc1cccnc1
InChIInChI=1S/C23H22N2O2/c1-16-14-18(11-12-22(16)27-19-8-5-13-24-15-19)25-23(26)21-10-4-7-17-6-2-3-9-20(17)21/h2-3,5-6,8-9,11-15,21H,4,7,10H2,1H3,(H,25,26)
InChIKeyXKJSZLZYVVYUMH-UHFFFAOYSA-N
XLogP5.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 100663215
(1R,2R,3S,4R)-3-[(3-methyl-4-pyridin-3-yloxyphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124809901
(2S,5R)-5-(aminomethyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120799083
cis-(1R,2S)-2-(furan-2-yl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopropane-1-carboxamide
CID 97003815
1-amino-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119864481
N-(3-methyl-4-pyridin-3-yloxyphenyl)morpholine-3-carboxamide;dihydrochloride
CID 119864469
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
1-(4-fluorophenyl)-N-(3-methyl-4-pyridin-3-yloxyphenyl)cyclobutane-1-carboxamide
CID 60580980
2-methoxy-5-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]pyridine-3-carboxamide
CID 129471163
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
N-(3-amino-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62058346
methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate
CID 51949510

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 60581044) is N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is Cc1cc(NC(=O)C2CCCc3ccccc32)ccc1Oc1cccnc1.
What is the InChIKey of N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is XKJSZLZYVVYUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16-14-18(11-12-22(16)27-19-8-5-13-24-15-19)25-23(26)21-10-4-7-17-6-2-3-9-20(17)21/h2-3,5-6,8-9,11-15,21H,4,7,10H2,1H3,(H,25,26).
What are the key properties of N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 60581044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).