N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide

C19H18N4O3 — CID 176902335

IUPACN-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide
SMILESCc1cc(=O)oc2cc(/N=N/c3ccc(C(=O)NCCN)cc3)ccc12
InChIInChI=1S/C19H18N4O3/c1-12-10-18(24)26-17-11-15(6-7-16(12)17)23-22-14-4-2-13(3-5-14)19(25)21-9-8-20/h2-7,10-11H,8-9,20H2,1H3,(H,21,25)/b23-22+
InChIKeyLXWQYIQVWIIAIR-GHVJWSGMSA-N
MW350.38 g/mol
LogP3.21
Rot. Bonds5

About N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide

N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide (PubChem CID 176902335) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide
PubChem CID176902335
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide
SMILESCc1cc(=O)oc2cc(/N=N/c3ccc(C(=O)NCCN)cc3)ccc12
InChIInChI=1S/C19H18N4O3/c1-12-10-18(24)26-17-11-15(6-7-16(12)17)23-22-14-4-2-13(3-5-14)19(25)21-9-8-20/h2-7,10-11H,8-9,20H2,1H3,(H,21,25)/b23-22+
InChIKeyLXWQYIQVWIIAIR-GHVJWSGMSA-N
XLogP3.21
TPSA110.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide
CID 155169638
1-N,4-N-bis(2-aminoethyl)benzene-1,4-dicarboxamide
CID 58098446
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N-[4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 167848019
N-[(2S)-2,6-diaminohexanoyl]-4-methyl-2-oxochromene-7-carboxamide
CID 11294835
N-(3-aminopropyl)-4-[[4-(dimethylamino)phenyl]diazenyl]benzamide
CID 155404148
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
6-[(4-carboxyphenyl)diazenyl]-4-methyl-2-oxochromen-7-olate
CID 135759553
(4-methyl-2-oxochromen-7-yl) 3-aminopropanoate chloride
CID 21180090
4-methyl-7-pent-4-ynoylchromen-2-one
CID 164951282
4-methyl-7-(2-methylpropylideneamino)chromen-2-one
CID 87174323

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide?
The IUPAC name of N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide (CID 176902335) is N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide.
What is the SMILES notation for N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide?
The canonical SMILES for N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide is Cc1cc(=O)oc2cc(/N=N/c3ccc(C(=O)NCCN)cc3)ccc12.
What is the InChIKey of N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide?
The InChIKey is LXWQYIQVWIIAIR-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-12-10-18(24)26-17-11-15(6-7-16(12)17)23-22-14-4-2-13(3-5-14)19(25)21-9-8-20/h2-7,10-11H,8-9,20H2,1H3,(H,21,25)/b23-22+.
What are the key properties of N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide?
N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide has a molecular weight of 350.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-[(4-methyl-2-oxochromen-7-yl)diazenyl]benzamide is sourced from PubChem (CID 176902335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).