N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide

C17H15N3O2 — CID 58407018

IUPACN-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(c1ccccc1)=CCO2
InChIInChI=1S/C17H15N3O2/c18-17(19)20-16(21)12-6-7-15-14(10-12)13(8-9-22-15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H4,18,19,20,21)
InChIKeyUXHXAHYYHTURLL-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.92
Rot. Bonds2

About N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide

N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide (PubChem CID 58407018) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide
PubChem CID58407018
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(c1ccccc1)=CCO2
InChIInChI=1S/C17H15N3O2/c18-17(19)20-16(21)12-6-7-15-14(10-12)13(8-9-22-15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H4,18,19,20,21)
InChIKeyUXHXAHYYHTURLL-UHFFFAOYSA-N
XLogP1.92
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide
CID 58406656
N-(diaminomethylidene)-4-(2-methoxyphenyl)-2H-chromene-6-carboxamide
CID 58407485
4-[2,4-bis(trifluoromethyl)phenyl]-N-(diaminomethylidene)-2H-chromene-6-carboxamide
CID 88911383
N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide
CID 58406678
N-(diaminomethylidene)-4-phenylspiro[chromene-2,1'-cyclopentane]-6-carboxamide
CID 58407516
N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide
CID 25190262
methyl 5-phenyl-2,3-dihydro-1-benzoxepine-7-carboxylate
CID 58406511
6-phenyl-2H-chromene-4-carboxylic acid
CID 82087891
methyl 4-(3,5-difluorophenyl)-2H-chromene-6-carboxylate
CID 58406748
N-(diaminomethylidene)-4-(2-methoxyphenyl)-2,2-dimethylchromene-6-carboxamide
CID 58406629
4-[7-(diaminomethylidenecarbamoyl)-3,4-dihydronaphthalen-1-yl]benzenesulfinate
CID 70895564
N-(diaminomethylidene)-8-phenyl-7-propyl-5,6-dihydronaphthalene-2-carboxamide
CID 58406536

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide (CID 58407018) is N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide is NC(N)=NC(=O)c1ccc2c(c1)C(c1ccccc1)=CCO2.
What is the InChIKey of N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide?
The InChIKey is UXHXAHYYHTURLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-17(19)20-16(21)12-6-7-15-14(10-12)13(8-9-22-15)11-4-2-1-3-5-11/h1-8,10H,9H2,(H4,18,19,20,21).
What are the key properties of N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide?
N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide is sourced from PubChem (CID 58407018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).