N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide

C17H14N6O3 — CID 134135848

IUPACN-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNc3ncnc4nc[nH]c34)ccc12
InChIInChI=1S/C17H14N6O3/c1-9-4-14(25)26-12-5-10(2-3-11(9)12)23-13(24)6-18-16-15-17(20-7-19-15)22-8-21-16/h2-5,7-8H,6H2,1H3,(H,23,24)(H2,18,19,20,21,22)
InChIKeyKYUGLCFWGORUCC-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.82
Rot. Bonds4

About N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide

N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide (PubChem CID 134135848) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide
PubChem CID134135848
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNc3ncnc4nc[nH]c34)ccc12
InChIInChI=1S/C17H14N6O3/c1-9-4-14(25)26-12-5-10(2-3-11(9)12)23-13(24)6-18-16-15-17(20-7-19-15)22-8-21-16/h2-5,7-8H,6H2,1H3,(H,23,24)(H2,18,19,20,21,22)
InChIKeyKYUGLCFWGORUCC-UHFFFAOYSA-N
XLogP1.82
TPSA125.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Coumarin 7
CID 94381
3-(3H-Imidazo[4,5-c]pyridin-2-yl)-6-methyl-2H-chromen-2-one
CID 22424483
1-(3-methoxyphenyl)-3-[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]urea
CID 68522434
3-(1H-benzo[d]imidazol-2-yl)-7-(piperazin-1-yl)-2H-chromen-2-one
CID 89657102
[3-[[4-(5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 162362037
[3-[[4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 162362124
3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-(7H-purin-6-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 164610848
3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(7H-purin-6-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 164617557
ethyl 1-(9-methoxy-5H-pyrimido[5,4-b]indol-4-yl)piperidine-4-carboxylate
CID 664591
[3-[[4-(dimethylamino)-1-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-b]indol-4-yl)piperidine-4-carbonyl]amino]phenyl] acetate
CID 127047710
4-(3H-imidazo[4,5-c]pyridin-2-yl)-3-methoxy-N,N-dimethylaniline
CID 13450822
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2-oxochromene-4-carbonitrile
CID 44415597

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide (CID 134135848) is N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide is Cc1cc(=O)oc2cc(NC(=O)CNc3ncnc4nc[nH]c34)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide?
The InChIKey is KYUGLCFWGORUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c1-9-4-14(25)26-12-5-10(2-3-11(9)12)23-13(24)6-18-16-15-17(20-7-19-15)22-8-21-16/h2-5,7-8H,6H2,1H3,(H,23,24)(H2,18,19,20,21,22).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide?
N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide has a molecular weight of 350.34 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-2-(7H-purin-6-ylamino)acetamide is sourced from PubChem (CID 134135848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).