N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide

C44H50N6O3 — CID 157296202

IUPACN-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1.Cc1nc2ncccc2cc1C(=O)N[C@@H](CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25N3O2.C22H25N3O/c1-14-18(12-16-6-5-11-23-20(16)24-14)21(27)25-19(13-26)15-7-9-17(10-8-15)22(2,3)4;1-14(16-8-10-18(11-9-16)22(3,4)5)25-21(26)19-13-17-7-6-12-23-20(17)24-15(19)2/h5-12,19,26H,13H2,1-4H3,(H,25,27);6-14H,1-5H3,(H,25,26)/t19-;14-/m00/s1
InChIKeyBBJISRNSVHAUGD-HABASXSXSA-N
MW710.92 g/mol
LogP8.43
Rot. Bonds7

About N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide

N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide (PubChem CID 157296202) has the molecular formula C44H50N6O3 and a molecular weight of 710.92 g/mol. Its IUPAC name is N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide
PubChem CID157296202
Molecular FormulaC44H50N6O3
Molecular Weight710.92 g/mol
Exact Mass710.39
IUPAC NameN-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCc1nc2ncccc2cc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1.Cc1nc2ncccc2cc1C(=O)N[C@@H](CO)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H25N3O2.C22H25N3O/c1-14-18(12-16-6-5-11-23-20(16)24-14)21(27)25-19(13-26)15-7-9-17(10-8-15)22(2,3)4;1-14(16-8-10-18(11-9-16)22(3,4)5)25-21(26)19-13-17-7-6-12-23-20(17)24-15(19)2/h5-12,19,26H,13H2,1-4H3,(H,25,27);6-14H,1-5H3,(H,25,26)/t19-;14-/m00/s1
InChIKeyBBJISRNSVHAUGD-HABASXSXSA-N
XLogP8.43
TPSA129.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.92
LogP ≤ 58.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

4-[2-amino-5-(3-methyl-4-pyridinyl)-3-pyridinyl]-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
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2-[[6-[2-(2,4-Diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)ethyl]pyridine-3-carbonyl]amino]pentanedioic acid
CID 44349821
7-cyclopropyl-N-[6-(2-hydroxypropan-2-yl)spiro[3.3]heptan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 137363252
7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 142496469
US10221161, Example 89
CID 117889851
US10221161, Example 67
CID 121393174
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 171351710
3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridyl]-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 118238021
6-Benzyl-3-[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridyl]-7,8-dihydro-1,6-naphthyridin-5-one
CID 118238408
N-cyclohexyl-2-phenyl-3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-1,8-naphthyridine-4-carboxamide
CID 11191476
N-[8-fluoro-3-hydroxy-5-(hydroxycarbamoyl)-8-methyl-1-phenylnonan-2-yl]-1,8-naphthyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide (CID 157296202) is N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide is Cc1nc2ncccc2cc1C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1.Cc1nc2ncccc2cc1C(=O)N[C@@H](CO)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is BBJISRNSVHAUGD-HABASXSXSA-N. The full InChI is InChI=1S/C22H25N3O2.C22H25N3O/c1-14-18(12-16-6-5-11-23-20(16)24-14)21(27)25-19(13-26)15-7-9-17(10-8-15)22(2,3)4;1-14(16-8-10-18(11-9-16)22(3,4)5)25-21(26)19-13-17-7-6-12-23-20(17)24-15(19)2/h5-12,19,26H,13H2,1-4H3,(H,25,27);6-14H,1-5H3,(H,25,26)/t19-;14-/m00/s1.
What are the key properties of N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 710.92 g/mol, XLogP of 8.43, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-methyl-1,8-naphthyridine-3-carboxamide;N-[(1R)-1-(4-tert-butylphenyl)-2-hydroxyethyl]-2-methyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 157296202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).