2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide

C17H16N4O3 — CID 134147186

IUPAC2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNc3cccc(N)n3)ccc12
InChIInChI=1S/C17H16N4O3/c1-10-7-17(23)24-13-8-11(5-6-12(10)13)20-16(22)9-19-15-4-2-3-14(18)21-15/h2-8H,9H2,1H3,(H,20,22)(H3,18,19,21)
InChIKeyRFLUBOKAKMPVFF-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.13
Rot. Bonds4

About 2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 134147186) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID134147186
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNc3cccc(N)n3)ccc12
InChIInChI=1S/C17H16N4O3/c1-10-7-17(23)24-13-8-11(5-6-12(10)13)20-16(22)9-19-15-4-2-3-14(18)21-15/h2-8H,9H2,1H3,(H,20,22)(H3,18,19,21)
InChIKeyRFLUBOKAKMPVFF-UHFFFAOYSA-N
XLogP2.13
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-{2-[7-(diethylamino)-4-methyl-2-oxo-2H-1-benzopyran-3-yl]ethyl}-N'-[(pyridin-3-yl)methyl]urea
CID 162624760
N-(4-methyl-2-oxo-2H-chromen-7-yl)-N'-(3-pyridinylmethyl)thiourea
CID 971374
7-(diethylamino)-2-oxo-N-(pyridin-2-yl)-2H-chromene-3-carboxamide
CID 658314
(2R)-2-amino-N-[3-methoxy-4-[2-(methylamino)-4-pyridinyl]phenyl]-4-methylpentanamide
CID 164619273
1-[2-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-(2-pyridin-3-ylethyl)urea
CID 155169425
1-(4-Methyl-2-oxo-1-benzopyran-7-yl)-3-(2-pyridinylmethyl)thiourea
CID 970707
6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
CID 122197325
4-[3-[4-(3-Methoxyisoquinolin-1-yl)piperazin-1-yl]propylamino]chromen-2-one
CID 155511431
(S)—N-(2-acetamido-5H-chromeno[3,4-c]pyridin-8-yl)-2-amino-4-methylpentanamide
CID 90357981
3-[4-[3-(Ethylamino)-2-pyridyl]piperazine-1-carbonyl]chromen-2-one
CID 455441
5-(3-aminopropylamino)-7-(4-methoxyphenyl)-1H-1,6-naphthyridin-2-one
CID 44280393
6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 134131601

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 134147186) is 2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide is Cc1cc(=O)oc2cc(NC(=O)CNc3cccc(N)n3)ccc12.
What is the InChIKey of 2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is RFLUBOKAKMPVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10-7-17(23)24-13-8-11(5-6-12(10)13)20-16(22)9-19-15-4-2-3-14(18)21-15/h2-8H,9H2,1H3,(H,20,22)(H3,18,19,21).
What are the key properties of 2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 324.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 134147186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).