N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide

C18H18N4O2 — CID 10829677

IUPACN-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)N=C(N)N)cc3ccccc32)cc1
InChIInChI=1S/C18H18N4O2/c1-24-14-8-6-12(7-9-14)11-22-15-5-3-2-4-13(15)10-16(22)17(23)21-18(19)20/h2-10H,11H2,1H3,(H4,19,20,21,23)
InChIKeyGWZSAMGPRGKFIX-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.11
Rot. Bonds4

About N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide

N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide (PubChem CID 10829677) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide
PubChem CID10829677
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide
SMILESCOc1ccc(Cn2c(C(=O)N=C(N)N)cc3ccccc32)cc1
InChIInChI=1S/C18H18N4O2/c1-24-14-8-6-12(7-9-14)11-22-15-5-3-2-4-13(15)10-16(22)17(23)21-18(19)20/h2-10H,11H2,1H3,(H4,19,20,21,23)
InChIKeyGWZSAMGPRGKFIX-UHFFFAOYSA-N
XLogP2.11
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.11
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)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 10712336
N-(diaminomethylidene)-1-(2-phenylethyl)indole-2-carboxamide
CID 10267157
1-benzyl-5-chloro-N-(diaminomethylidene)indole-2-carboxamide;hydrochloride
CID 22097790
N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
CID 15290301
ethyl 1-[(4-methylphenyl)methyl]indole-2-carboxylate
CID 155536959
6-[1-[(4-methoxyphenyl)methyl]indol-2-yl]hexan-1-ol
CID 142653865
1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carbaldehyde
CID 4914630
N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
1-benzyl-N,N-dipropylindole-2-carboxamide
CID 69461033
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate
CID 178180601
1-[(4-aminophenyl)methyl]indole-2-carboxylic acid;2,2,2-trifluoroacetamide
CID 161133236

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide (CID 10829677) is N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide is COc1ccc(Cn2c(C(=O)N=C(N)N)cc3ccccc32)cc1.
What is the InChIKey of N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide?
The InChIKey is GWZSAMGPRGKFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-24-14-8-6-12(7-9-14)11-22-15-5-3-2-4-13(15)10-16(22)17(23)21-18(19)20/h2-10H,11H2,1H3,(H4,19,20,21,23).
What are the key properties of N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide?
N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 10829677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).