5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H18N2O — CID 20824455

IUPAC5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC1CCCc2cc(C(=O)Nc3ccncc3)ccc21
InChIInChI=1S/C17H18N2O/c1-12-3-2-4-13-11-14(5-6-16(12)13)17(20)19-15-7-9-18-10-8-15/h5-12H,2-4H2,1H3,(H,18,19,20)
InChIKeyDSDQKNJVYYHMKO-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.77
Rot. Bonds2

About 5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 20824455) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID20824455
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCC1CCCc2cc(C(=O)Nc3ccncc3)ccc21
InChIInChI=1S/C17H18N2O/c1-12-3-2-4-13-11-14(5-6-16(12)13)17(20)19-15-7-9-18-10-8-15/h5-12H,2-4H2,1H3,(H,18,19,20)
InChIKeyDSDQKNJVYYHMKO-UHFFFAOYSA-N
XLogP3.77
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 11323111
(5R)-5-amino-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 69046909
5-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 168737750
N,1-dimethyl-2,3-dihydro-1H-indene-5-carboxamide
CID 58663133
(4S)-4-amino-N-pyridin-4-yl-3,4-dihydro-2H-chromene-7-carboxamide
CID 57429972
4-cyclopentyl-N-pyridin-4-ylbenzamide
CID 110464379
(2R)-2-methyl-1-methylsulfonyl-N-pyridin-4-yl-2,3-dihydroindole-5-carboxamide
CID 27700275
1-(8-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58246462
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
(3S)-3-amino-1,1-dioxo-N-pyridin-4-yl-2,3-dihydro-1-benzothiophene-6-carboxamide
CID 69044545
N-(4-acetylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 9191578
N-[4-(cyclopropanecarbonylamino)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 41266130

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 20824455) is 5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CC1CCCc2cc(C(=O)Nc3ccncc3)ccc21.
What is the InChIKey of 5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is DSDQKNJVYYHMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-12-3-2-4-13-11-14(5-6-16(12)13)17(20)19-15-7-9-18-10-8-15/h5-12H,2-4H2,1H3,(H,18,19,20).
What are the key properties of 5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pyridin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 20824455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).