6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide

C27H26N4O3 — CID 23585029

IUPAC6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc3ncc(C(=O)Nc4cccc(C(C)(C)C)c4)cc3c2)ccn1
InChIInChI=1S/C27H26N4O3/c1-17(32)30-25-15-23(10-11-28-25)34-22-8-9-24-18(13-22)12-19(16-29-24)26(33)31-21-7-5-6-20(14-21)27(2,3)4/h5-16H,1-4H3,(H,31,33)(H,28,30,32)
InChIKeyCVPLQAIMVVFOMF-UHFFFAOYSA-N
MW454.53 g/mol
LogP5.93
Rot. Bonds5

About 6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide

6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide (PubChem CID 23585029) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide
PubChem CID23585029
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc3ncc(C(=O)Nc4cccc(C(C)(C)C)c4)cc3c2)ccn1
InChIInChI=1S/C27H26N4O3/c1-17(32)30-25-15-23(10-11-28-25)34-22-8-9-24-18(13-22)12-19(16-29-24)26(33)31-21-7-5-6-20(14-21)27(2,3)4/h5-16H,1-4H3,(H,31,33)(H,28,30,32)
InChIKeyCVPLQAIMVVFOMF-UHFFFAOYSA-N
XLogP5.93
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.53
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrrolidin-1-ylethyl N-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]carbamate
CID 66721690
2-[4-[7-[(3-tert-butylphenyl)carbamoyl]naphthalen-2-yl]oxy-2-pyridinyl]-1H-imidazole-5-carboxylic acid
CID 69438047
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-[(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
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide
CID 58902443
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
7-[[2-[5-[(2-aminoethylamino)methyl]-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-(3-tert-butylphenyl)naphthalene-2-carboxamide
CID 69441789
7-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-N-(3-methylphenyl)naphthalene-2-carboxamide;methane
CID 160836273
N-(3-tert-butylphenyl)-7-[[2-(4-methylpiperazine-1-carboximidoyl)-4-pyridinyl]oxy]naphthalene-2-carboxamide
CID 66721579
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-[[2-(4,5-dihydro-1H-imidazol-2-yl)-4-pyridinyl]oxy]quinoline-3-carboxamide
CID 66721302
N-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide
CID 59790061
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144

Frequently Asked Questions

What is the IUPAC name of 6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide?
The IUPAC name of 6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide (CID 23585029) is 6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide is CC(=O)Nc1cc(Oc2ccc3ncc(C(=O)Nc4cccc(C(C)(C)C)c4)cc3c2)ccn1.
What is the InChIKey of 6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide?
The InChIKey is CVPLQAIMVVFOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-17(32)30-25-15-23(10-11-28-25)34-22-8-9-24-18(13-22)12-19(16-29-24)26(33)31-21-7-5-6-20(14-21)27(2,3)4/h5-16H,1-4H3,(H,31,33)(H,28,30,32).
What are the key properties of 6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide?
6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 5.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-acetamido-4-pyridinyl)oxy]-N-(3-tert-butylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 23585029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).