N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide

C18H20N4O2 — CID 143762508

IUPACN-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide
SMILESCC1C=C(C2=CCN(C)C=C2)c2cc(C(=O)N=C(N)N)ccc2O1
InChIInChI=1S/C18H20N4O2/c1-11-9-14(12-5-7-22(2)8-6-12)15-10-13(3-4-16(15)24-11)17(23)21-18(19)20/h3-7,9-11H,8H2,1-2H3,(H4,19,20,21,23)
InChIKeyFPADFUPEIZWSRR-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.65
Rot. Bonds2

About N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide

N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide (PubChem CID 143762508) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide
PubChem CID143762508
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide
SMILESCC1C=C(C2=CCN(C)C=C2)c2cc(C(=O)N=C(N)N)ccc2O1
InChIInChI=1S/C18H20N4O2/c1-11-9-14(12-5-7-22(2)8-6-12)15-10-13(3-4-16(15)24-11)17(23)21-18(19)20/h3-7,9-11H,8H2,1-2H3,(H4,19,20,21,23)
InChIKeyFPADFUPEIZWSRR-UHFFFAOYSA-N
XLogP1.65
TPSA93.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-fluoro-5-methoxyphenyl)-2-methyl-2H-chromene-6-carboxamide
CID 58407247
N-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide
CID 58407018
N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide
CID 58406656
N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide
CID 25190262
N-(diaminomethylidene)-4-(2-methoxyphenyl)-2H-chromene-6-carboxamide
CID 58407485
(2R)-2-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxylic acid
CID 58407207
N-(diaminomethylidene)-4-(3,6-dichlorocyclohepta-1,3,5-trien-1-yl)-2-methyl-2,5-dihydro-1-benzoxepine-7-carboxamide
CID 143762547
N-(diaminomethylidene)-3-methyl-4-(2,4,6-trifluorophenyl)-2H-chromene-6-carboxamide
CID 58406759
N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide
CID 58406678
4-(3,4-difluorophenyl)-2-methyl-2H-chromene-6-carboxylic acid
CID 58406680
4-[2,4-bis(trifluoromethyl)phenyl]-N-(diaminomethylidene)-2H-chromene-6-carboxamide
CID 88911383
N-(diaminomethylidene)-4-methyl-3-pyrrolidin-1-ylbenzamide
CID 18956213

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide (CID 143762508) is N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide is CC1C=C(C2=CCN(C)C=C2)c2cc(C(=O)N=C(N)N)ccc2O1.
What is the InChIKey of N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide?
The InChIKey is FPADFUPEIZWSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-11-9-14(12-5-7-22(2)8-6-12)15-10-13(3-4-16(15)24-11)17(23)21-18(19)20/h3-7,9-11H,8H2,1-2H3,(H4,19,20,21,23).
What are the key properties of N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide?
N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide is sourced from PubChem (CID 143762508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).