6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide

C29H26N6O2 — CID 157044051

IUPAC6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
SMILESCc1cc(Oc2ccc(NC(=O)c3ccc(Nc4ccnc5ccc(N(C)C)cc45)nc3)cc2)ccn1
InChIInChI=1S/C29H26N6O2/c1-19-16-24(12-14-30-19)37-23-8-5-21(6-9-23)33-29(36)20-4-11-28(32-18-20)34-27-13-15-31-26-10-7-22(35(2)3)17-25(26)27/h4-18H,1-3H3,(H,33,36)(H,31,32,34)
InChIKeyZTYXIWPIUDMIHH-UHFFFAOYSA-N
MW490.57 g/mol
LogP6.19
Rot. Bonds7

About 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide

6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide (PubChem CID 157044051) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
PubChem CID157044051
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC Name6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
SMILESCc1cc(Oc2ccc(NC(=O)c3ccc(Nc4ccnc5ccc(N(C)C)cc45)nc3)cc2)ccn1
InChIInChI=1S/C29H26N6O2/c1-19-16-24(12-14-30-19)37-23-8-5-21(6-9-23)33-29(36)20-4-11-28(32-18-20)34-27-13-15-31-26-10-7-22(35(2)3)17-25(26)27/h4-18H,1-3H3,(H,33,36)(H,31,32,34)
InChIKeyZTYXIWPIUDMIHH-UHFFFAOYSA-N
XLogP6.19
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 157044292
N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide
CID 157044230
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
methyl 4-[[5-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 130249565
methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 170005441
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide chloride
CID 71659966
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]benzamide
CID 157044209
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
methyl 4-[[6-[4-(dimethylamino)anilino]pyridine-3-carbonyl]amino]benzoate
CID 109164647
N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
CID 109163195
6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid
CID 157043966
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide (CID 157044051) is 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide is Cc1cc(Oc2ccc(NC(=O)c3ccc(Nc4ccnc5ccc(N(C)C)cc45)nc3)cc2)ccn1.
What is the InChIKey of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide?
The InChIKey is ZTYXIWPIUDMIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-19-16-24(12-14-30-19)37-23-8-5-21(6-9-23)33-29(36)20-4-11-28(32-18-20)34-27-13-15-31-26-10-7-22(35(2)3)17-25(26)27/h4-18H,1-3H3,(H,33,36)(H,31,32,34).
What are the key properties of 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide?
6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide has a molecular weight of 490.57 g/mol, XLogP of 6.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 157044051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).