3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide

C23H21N7O — CID 157042984

IUPAC3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide
SMILESCc1cc(Nc2cccc(C(=O)Nc3cc(Nc4ccncc4)ccn3)c2)cc(N)n1
InChIInChI=1S/C23H21N7O/c1-15-11-20(13-21(24)27-15)29-18-4-2-3-16(12-18)23(31)30-22-14-19(7-10-26-22)28-17-5-8-25-9-6-17/h2-14H,1H3,(H3,24,27,29)(H2,25,26,28,30,31)
InChIKeyJFEUXOFNGWSENA-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.50
Rot. Bonds6

About 3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide

3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide (PubChem CID 157042984) has the molecular formula C23H21N7O and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide
PubChem CID157042984
Molecular FormulaC23H21N7O
Molecular Weight411.47 g/mol
Exact Mass411.18
IUPAC Name3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide
SMILESCc1cc(Nc2cccc(C(=O)Nc3cc(Nc4ccncc4)ccn3)c2)cc(N)n1
InChIInChI=1S/C23H21N7O/c1-15-11-20(13-21(24)27-15)29-18-4-2-3-16(12-18)23(31)30-22-14-19(7-10-26-22)28-17-5-8-25-9-6-17/h2-14H,1H3,(H3,24,27,29)(H2,25,26,28,30,31)
InChIKeyJFEUXOFNGWSENA-UHFFFAOYSA-N
XLogP4.50
TPSA117.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[3-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157042720
N-[3-[(2-amino-4-pyridinyl)amino]phenyl]-4-(pyridin-4-ylamino)benzamide
CID 157043383
3-[(2-methyl-4-pyridinyl)amino]-N-(4-phenoxy-2-pyridinyl)benzamide
CID 170002489
N-(4-pyridazin-4-yloxy-2-pyridinyl)-3-(pyridin-4-ylamino)benzamide
CID 157042670
4-amino-N-[3-(pyridin-4-ylamino)phenyl]benzamide
CID 155404523
N-pyridin-4-yl-3-(pyrimidin-2-ylamino)benzamide
CID 39954034
3-[(6-cyanoquinolin-4-yl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]-2-pyridinyl]benzamide
CID 157042727
3-[(3-chlorobenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1040986
N-(3-carbamothioylphenyl)-2-methylpyridine-4-carboxamide
CID 106752978
3-acetamido-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 13177101
3-bromo-N-[2-(methylamino)-4-pyridinyl]benzamide
CID 150802976
4-[(2-methyl-4-pyridinyl)amino]-N-[4-[(2-methyl-4-pyridinyl)amino]phenyl]benzamide
CID 157044269

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide?
The IUPAC name of 3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide (CID 157042984) is 3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for 3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide?
The canonical SMILES for 3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide is Cc1cc(Nc2cccc(C(=O)Nc3cc(Nc4ccncc4)ccn3)c2)cc(N)n1.
What is the InChIKey of 3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide?
The InChIKey is JFEUXOFNGWSENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O/c1-15-11-20(13-21(24)27-15)29-18-4-2-3-16(12-18)23(31)30-22-14-19(7-10-26-22)28-17-5-8-25-9-6-17/h2-14H,1H3,(H3,24,27,29)(H2,25,26,28,30,31).
What are the key properties of 3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide?
3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide has a molecular weight of 411.47 g/mol, XLogP of 4.50, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-methyl-4-pyridinyl)amino]-N-[4-(pyridin-4-ylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 157042984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).