N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide

C26H25N5O2S — CID 42479714

IUPACN-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccc(-n4ccnc4)cc2)C3)s1
InChIInChI=1S/C26H25N5O2S/c1-17-3-8-24(34-17)25(32)29-14-23-18(2)28-13-20-15-30(11-9-22(20)23)26(33)19-4-6-21(7-5-19)31-12-10-27-16-31/h3-8,10,12-13,16H,9,11,14-15H2,1-2H3,(H,29,32)
InChIKeyWQIHHCQENWSVEO-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.07
Rot. Bonds5

About N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide

N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 42479714) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID42479714
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccc(-n4ccnc4)cc2)C3)s1
InChIInChI=1S/C26H25N5O2S/c1-17-3-8-24(34-17)25(32)29-14-23-18(2)28-13-20-15-30(11-9-22(20)23)26(33)19-4-6-21(7-5-19)31-12-10-27-16-31/h3-8,10,12-13,16H,9,11,14-15H2,1-2H3,(H,29,32)
InChIKeyWQIHHCQENWSVEO-UHFFFAOYSA-N
XLogP4.07
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-methyl-7-(5-methylthiophene-2-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]pyrazine-2-carboxamide
CID 42325286
N-[[3-methyl-7-(quinoxaline-6-carbonyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 42341163
N-(4-imidazol-1-ylphenyl)-5-methylthiophene-2-carboxamide
CID 37239302
N-[[7-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 45166479
N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 11516054
N-[[3-methyl-7-(4-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 74803060
N-[[3-methyl-7-(2-pyrazol-1-ylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]acetamide
CID 118755862
N-[[7-[2-(1,3-dioxoisoindol-2-yl)acetyl]-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 118756876
N-[[7-(4-fluorobenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]ethanesulfonamide
CID 42340499
N-[[7-(1,3-benzodioxole-5-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]oxolane-2-carboxamide
CID 45187284
(E)-N-[[7-(4-acetylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 42378243
5-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]thiophene-2-carboxamide
CID 43043492

Frequently Asked Questions

What is the IUPAC name of N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide (CID 42479714) is N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)c2ccc(-n4ccnc4)cc2)C3)s1.
What is the InChIKey of N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is WQIHHCQENWSVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-17-3-8-24(34-17)25(32)29-14-23-18(2)28-13-20-15-30(11-9-22(20)23)26(33)19-4-6-21(7-5-19)31-12-10-27-16-31/h3-8,10,12-13,16H,9,11,14-15H2,1-2H3,(H,29,32).
What are the key properties of N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide?
N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 471.59 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 42479714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).