N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide

C23H20N6O — CID 157043383

IUPACN-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
SMILESNc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccncc4)cc3)c2)ccn1
InChIInChI=1S/C23H20N6O/c24-22-15-21(10-13-26-22)28-19-2-1-3-20(14-19)29-23(30)16-4-6-17(7-5-16)27-18-8-11-25-12-9-18/h1-15H,(H,25,27)(H,29,30)(H3,24,26,28)
InChIKeyVUPYLHMKWJRWGL-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.80
Rot. Bonds6

About N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide

N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide (PubChem CID 157043383) has the molecular formula C23H20N6O and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
PubChem CID157043383
Molecular FormulaC23H20N6O
Molecular Weight396.45 g/mol
Exact Mass396.17
IUPAC NameN-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
SMILESNc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccncc4)cc3)c2)ccn1
InChIInChI=1S/C23H20N6O/c24-22-15-21(10-13-26-22)28-19-2-1-3-20(14-19)29-23(30)16-4-6-17(7-5-16)27-18-8-11-25-12-9-18/h1-15H,(H,25,27)(H,29,30)(H3,24,26,28)
InChIKeyVUPYLHMKWJRWGL-UHFFFAOYSA-N
XLogP4.80
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
N-[3-[[(1E,3Z)-1,4-diaminobuta-1,3-dien-2-yl]amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 170229383
4-nitro-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 59458005
N-(3-anilinophenyl)-4-(pyridin-4-ylmethyl)benzamide
CID 168823701
3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide
CID 157042984
4-[(6-ethylquinolin-4-yl)amino]-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 170225786
3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157044269
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[3-methyl-4-[4-[[3-(pyridin-4-ylamino)phenyl]carbamoyl]anilino]-2-pyridinyl]carbamate
CID 166833028
4-amino-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 59457943
4-[(7-aminoquinolin-4-yl)amino]-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 24857954
N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide?
The IUPAC name of N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide (CID 157043383) is N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide.
What is the SMILES notation for N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide?
The canonical SMILES for N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide is Nc1cc(Nc2cccc(NC(=O)c3ccc(Nc4ccncc4)cc3)c2)ccn1.
What is the InChIKey of N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide?
The InChIKey is VUPYLHMKWJRWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O/c24-22-15-21(10-13-26-22)28-19-2-1-3-20(14-19)29-23(30)16-4-6-17(7-5-16)27-18-8-11-25-12-9-18/h1-15H,(H,25,27)(H,29,30)(H3,24,26,28).
What are the key properties of N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide?
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide has a molecular weight of 396.45 g/mol, XLogP of 4.80, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide is sourced from PubChem (CID 157043383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).