N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide

C14H17N3O2 — CID 146032606

IUPACN-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide
SMILESCc1cc2c(cc1C(=O)N=C(N)N)C=CC(C)(C)O2
InChIInChI=1S/C14H17N3O2/c1-8-6-11-9(4-5-14(2,3)19-11)7-10(8)12(18)17-13(15)16/h4-7H,1-3H3,(H4,15,16,17,18)
InChIKeyQWHWAQUCUIGBAE-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.59
Rot. Bonds1

About N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide

N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide (PubChem CID 146032606) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide
PubChem CID146032606
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide
SMILESCc1cc2c(cc1C(=O)N=C(N)N)C=CC(C)(C)O2
InChIInChI=1S/C14H17N3O2/c1-8-6-11-9(4-5-14(2,3)19-11)7-10(8)12(18)17-13(15)16/h4-7H,1-3H3,(H4,15,16,17,18)
InChIKeyQWHWAQUCUIGBAE-UHFFFAOYSA-N
XLogP1.59
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide (CID 146032606) is N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide is Cc1cc2c(cc1C(=O)N=C(N)N)C=CC(C)(C)O2.
What is the InChIKey of N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide?
The InChIKey is QWHWAQUCUIGBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-6-11-9(4-5-14(2,3)19-11)7-10(8)12(18)17-13(15)16/h4-7H,1-3H3,(H4,15,16,17,18).
What are the key properties of N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide?
N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2,2,7-trimethylchromene-6-carboxamide is sourced from PubChem (CID 146032606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).