2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide

C20H22N6O2 — CID 89162964

IUPAC2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(N)cc2OC)ncc1N
InChIInChI=1S/C20H22N6O2/c1-23-20(27)13-5-3-4-6-15(13)25-17-10-19(24-11-14(17)22)26-16-8-7-12(21)9-18(16)28-2/h3-11H,21-22H2,1-2H3,(H,23,27)(H2,24,25,26)
InChIKeyVTPVWZBXDPLSBQ-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.10
Rot. Bonds6

About 2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide

2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide (PubChem CID 89162964) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide
PubChem CID89162964
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1Nc1cc(Nc2ccc(N)cc2OC)ncc1N
InChIInChI=1S/C20H22N6O2/c1-23-20(27)13-5-3-4-6-15(13)25-17-10-19(24-11-14(17)22)26-16-8-7-12(21)9-18(16)28-2/h3-11H,21-22H2,1-2H3,(H,23,27)(H2,24,25,26)
InChIKeyVTPVWZBXDPLSBQ-UHFFFAOYSA-N
XLogP3.10
TPSA127.32 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 25071287
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074531
2-[[5-isocyano-2-[2-methoxy-4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)anilino]-4-pyridinyl]amino]-N-methylbenzamide
CID 58155179
2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)-4-pyridinyl]amino]-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 25072546
2-[[2-(5-amino-2-methoxyanilino)-5-chloropyrimidin-4-yl]amino]-N-methylbenzamide
CID 67468507
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-methyl-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 117076920
2-[[2-(2-methoxy-4-morpholin-4-ylanilino)-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide;2,2,2-trifluoroacetic acid
CID 131865374
N-methyl-4-[2-(methylcarbamoyl)anilino]-6-[(5-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 118473468
2-N-(2-methoxyphenyl)-4-methylpyridine-2,5-diamine
CID 79020929
4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methoxybenzoic acid
CID 90154018
2-methoxy-1-N-phenylbenzene-1,4-diamine
CID 22062515
2-[[2-amino-5-(trifluoromethyl)-4-pyridinyl]amino]-N-methylbenzamide
CID 141455583

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide?
The IUPAC name of 2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide (CID 89162964) is 2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide.
What is the SMILES notation for 2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide?
The canonical SMILES for 2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide is CNC(=O)c1ccccc1Nc1cc(Nc2ccc(N)cc2OC)ncc1N.
What is the InChIKey of 2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide?
The InChIKey is VTPVWZBXDPLSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-23-20(27)13-5-3-4-6-15(13)25-17-10-19(24-11-14(17)22)26-16-8-7-12(21)9-18(16)28-2/h3-11H,21-22H2,1-2H3,(H,23,27)(H2,24,25,26).
What are the key properties of 2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide?
2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide has a molecular weight of 378.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide is sourced from PubChem (CID 89162964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).