2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid

C30H26N4O4 — CID 69438047

IUPAC2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(-c5ncc(C(=O)O)[nH]5)c4)cc3c2)c1
InChIInChI=1S/C30H26N4O4/c1-30(2,3)21-5-4-6-22(15-21)33-28(35)19-8-7-18-9-10-23(14-20(18)13-19)38-24-11-12-31-25(16-24)27-32-17-26(34-27)29(36)37/h4-17H,1-3H3,(H,32,34)(H,33,35)(H,36,37)
InChIKeyGKXXGVXKXSXCMZ-UHFFFAOYSA-N
MW506.56 g/mol
LogP6.67
Rot. Bonds6

About 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid

2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid (PubChem CID 69438047) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid
PubChem CID69438047
Molecular FormulaC30H26N4O4
Molecular Weight506.56 g/mol
Exact Mass506.20
IUPAC Name2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid
SMILESCC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(-c5ncc(C(=O)O)[nH]5)c4)cc3c2)c1
InChIInChI=1S/C30H26N4O4/c1-30(2,3)21-5-4-6-22(15-21)33-28(35)19-8-7-18-9-10-23(14-20(18)13-19)38-24-11-12-31-25(16-24)27-32-17-26(34-27)29(36)37/h4-17H,1-3H3,(H,32,34)(H,33,35)(H,36,37)
InChIKeyGKXXGVXKXSXCMZ-UHFFFAOYSA-N
XLogP6.67
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.56
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid with MolForge

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Related Compounds

7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide
CID 69441789
N-(3-tert-butylphenyl)-7-[(2-cyano-4-pyridinyl)oxy]naphthalene-2-carboxamide;N-(3-tert-butylphenyl)-7-[[2-(1,4,5,6-tetrahydropyrimidin-2-yl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 161171805
2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 66721690
6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide
CID 23585029
N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 66721579
2-morpholin-4-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 69440674
N-(3-tert-butylphenyl)-7-[[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,2-dihydropyridin-4-yl]oxy]naphthalene-2-carboxamide
CID 71188085
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
CID 58902443
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane
CID 160836273
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-(3-methylphenyl)-7-[[2-(pyrrolidine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 58902466
3-[3-[[2-[5-(dihydroxymethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 91257705

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid?
The IUPAC name of 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid (CID 69438047) is 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid?
The canonical SMILES for 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid is CC(C)(C)c1cccc(NC(=O)c2ccc3ccc(Oc4ccnc(-c5ncc(C(=O)O)[nH]5)c4)cc3c2)c1.
What is the InChIKey of 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid?
The InChIKey is GKXXGVXKXSXCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4/c1-30(2,3)21-5-4-6-22(15-21)33-28(35)19-8-7-18-9-10-23(14-20(18)13-19)38-24-11-12-31-25(16-24)27-32-17-26(34-27)29(36)37/h4-17H,1-3H3,(H,32,34)(H,33,35)(H,36,37).
What are the key properties of 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid?
2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid has a molecular weight of 506.56 g/mol, XLogP of 6.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid is sourced from PubChem (CID 69438047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).