3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

C19H20N4O3 — CID 70833564

IUPAC3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
SMILESCC[C@@H](Nc1c(Nc2cc(N)cnc2OC)c(=O)c1=O)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-3-13(11-7-5-4-6-8-11)22-15-16(18(25)17(15)24)23-14-9-12(20)10-21-19(14)26-2/h4-10,13,22-23H,3,20H2,1-2H3/t13-/m1/s1
InChIKeyFTAKMTUDJBWGOW-CYBMUJFWSA-N
MW352.39 g/mol
LogP2.58
Rot. Bonds7

About 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione

3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione (PubChem CID 70833564) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione.

Molecular Properties

Compound Name3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
PubChem CID70833564
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
SMILESCC[C@@H](Nc1c(Nc2cc(N)cnc2OC)c(=O)c1=O)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-3-13(11-7-5-4-6-8-11)22-15-16(18(25)17(15)24)23-14-9-12(20)10-21-19(14)26-2/h4-10,13,22-23H,3,20H2,1-2H3/t13-/m1/s1
InChIKeyFTAKMTUDJBWGOW-CYBMUJFWSA-N
XLogP2.58
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione with MolForge

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Related Compounds

5-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-6-methoxypyridine-3-carbonitrile
CID 87563906
methyl 4-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-3-methoxypyridine-2-carboxylate
CID 87563103
3-[[3,4-dioxo-2-(1-phenylpropylamino)cyclobuten-1-yl]amino]-2-methoxybenzoic acid
CID 123899939
3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-methoxybenzoic acid
CID 88545400
3-[(3-hydroxy-2-methyl-4-pyridinyl)amino]-4-(1-phenylpropylamino)cyclobut-3-ene-1,2-dione
CID 75283274
3-(2H-benzotriazol-4-ylamino)-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
CID 10154712
3-ethoxy-4-[[(1S)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
CID 87563279
3-[[3-methoxy-2-(4-methylpiperazine-1-carbonyl)-4-pyridinyl]amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
CID 87563640
5-N-(1-phenylpropyl)pyridine-3,5-diamine
CID 104534194
2-hydroxy-3-[[2-[1-(3-methoxyphenyl)propylamino]-3,4-dioxocyclobuten-1-yl]amino]-N,N-dimethylbenzamide
CID 10159324
3-[[3,4-dioxo-2-[[(1R)-1-phenylpropyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethyl-6-pyridin-2-ylbenzamide
CID 45272042
3-[3-(8-azaspiro[4.5]decane-8-carbonyl)-2-methoxyanilino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione
CID 88545381

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
The IUPAC name of 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione (CID 70833564) is 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione.
What is the SMILES notation for 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
The canonical SMILES for 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione is CC[C@@H](Nc1c(Nc2cc(N)cnc2OC)c(=O)c1=O)c1ccccc1.
What is the InChIKey of 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
The InChIKey is FTAKMTUDJBWGOW-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-13(11-7-5-4-6-8-11)22-15-16(18(25)17(15)24)23-14-9-12(20)10-21-19(14)26-2/h4-10,13,22-23H,3,20H2,1-2H3/t13-/m1/s1.
What are the key properties of 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione?
3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione has a molecular weight of 352.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-methoxy-3-pyridinyl)amino]-4-[[(1R)-1-phenylpropyl]amino]cyclobut-3-ene-1,2-dione is sourced from PubChem (CID 70833564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).