N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide

C28H25N7O — CID 157044230

IUPACN-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide
SMILESCN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccc5)cn4)cn3)c2c1
InChIInChI=1S/C28H25N7O/c1-35(2)22-10-11-24-23(16-22)25(14-15-29-24)33-26-12-8-19(17-30-26)28(36)34-27-13-9-21(18-31-27)32-20-6-4-3-5-7-20/h3-18,32H,1-2H3,(H,29,30,33)(H,31,34,36)
InChIKeyJPJMPSZTISJDKO-UHFFFAOYSA-N
MW475.56 g/mol
LogP5.83
Rot. Bonds7

About N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide

N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 157044230) has the molecular formula C28H25N7O and a molecular weight of 475.56 g/mol. Its IUPAC name is N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide
PubChem CID157044230
Molecular FormulaC28H25N7O
Molecular Weight475.56 g/mol
Exact Mass475.21
IUPAC NameN-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide
SMILESCN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccc5)cn4)cn3)c2c1
InChIInChI=1S/C28H25N7O/c1-35(2)22-10-11-24-23(16-22)25(14-15-29-24)33-26-12-8-19(17-30-26)28(36)34-27-13-9-21(18-31-27)32-20-6-4-3-5-7-20/h3-18,32H,1-2H3,(H,29,30,33)(H,31,34,36)
InChIKeyJPJMPSZTISJDKO-UHFFFAOYSA-N
XLogP5.83
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.56
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

methyl 4-[[5-[(4-anilinophenyl)carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 170005441
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]benzamide
CID 142700397
6-[[6-(dimethylamino)quinolin-4-yl]amino]-N-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]pyridine-3-carboxamide
CID 157044051
N-[4-[[6-(dimethylamino)quinolin-4-yl]amino]phenyl]-4-[(1-methylpyridin-1-ium-4-yl)amino]benzamide chloride
CID 71659966
methyl 4-[[5-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]-2-pyridinyl]amino]quinoline-6-carboxylate
CID 130249565
N-[3-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-4-[[6-(dimethylamino)quinolin-4-yl]amino]benzamide;dihydrochloride
CID 86621649
6-[(6-acetylquinolin-4-yl)amino]pyridine-3-carboxylic acid
CID 157043966
N-[4-(dimethylamino)phenyl]-6-(2-fluoroanilino)pyridine-3-carboxamide
CID 109163195
methyl 4-[(6-benzamido-3-pyridinyl)amino]benzoate
CID 113035384
4-[(6-fluoroquinolin-4-yl)amino]-N-[6-(pyridin-4-ylamino)-3-pyridinyl]benzamide
CID 157044112
4-[[6-(dimethylamino)quinolin-4-yl]amino]benzaldehyde
CID 157043577
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
CID 113035518

Frequently Asked Questions

What is the IUPAC name of N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide (CID 157044230) is N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide is CN(C)c1ccc2nccc(Nc3ccc(C(=O)Nc4ccc(Nc5ccccc5)cn4)cn3)c2c1.
What is the InChIKey of N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is JPJMPSZTISJDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O/c1-35(2)22-10-11-24-23(16-22)25(14-15-29-24)33-26-12-8-19(17-30-26)28(36)34-27-13-9-21(18-31-27)32-20-6-4-3-5-7-20/h3-18,32H,1-2H3,(H,29,30,33)(H,31,34,36).
What are the key properties of N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide?
N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 475.56 g/mol, XLogP of 5.83, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-anilino-2-pyridinyl)-6-[[6-(dimethylamino)quinolin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 157044230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).