N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide

C14H19N5O — CID 15290301

IUPACN-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
SMILESCN(C)CCn1c(C(=O)N=C(N)N)cc2ccccc21
InChIInChI=1S/C14H19N5O/c1-18(2)7-8-19-11-6-4-3-5-10(11)9-12(19)13(20)17-14(15)16/h3-6,9H,7-8H2,1-2H3,(H4,15,16,17,20)
InChIKeyUIQQVPNKGNAKQS-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.62
Rot. Bonds4

About N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide

N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide (PubChem CID 15290301) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
PubChem CID15290301
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
SMILESCN(C)CCn1c(C(=O)N=C(N)N)cc2ccccc21
InChIInChI=1S/C14H19N5O/c1-18(2)7-8-19-11-6-4-3-5-10(11)9-12(19)13(20)17-14(15)16/h3-6,9H,7-8H2,1-2H3,(H4,15,16,17,20)
InChIKeyUIQQVPNKGNAKQS-UHFFFAOYSA-N
XLogP0.62
TPSA89.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.62
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-(2-phenylethyl)indole-2-carboxamide
CID 10267157
N-(diaminomethylidene)-1-(naphthalen-2-ylmethyl)indole-2-carboxamide
CID 10712336
N-(diaminomethylidene)-1-[(4-methoxyphenyl)methyl]indole-2-carboxamide
CID 10829677
[1-[2-(dimethylamino)ethyl]indol-2-yl]-(1H-indol-2-yl)methanone
CID 22645663
[4-(2-chlorophenyl)piperazin-1-yl]-[1-[2-(dimethylamino)ethyl]indol-2-yl]methanone
CID 10982482
1-[2-(dimethylamino)ethyl]quinolin-2-one
CID 45117450
1-benzyl-5-chloro-N-(diaminomethylidene)indole-2-carboxamide;hydrochloride
CID 22097790
1-(dimethylamino)indole-2-carboxamide
CID 154319085
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 110834916
N-(diaminomethylidene)-5-hydroxy-1-methylindole-2-carboxamide
CID 15290313
[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 138005082

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide (CID 15290301) is N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide is CN(C)CCn1c(C(=O)N=C(N)N)cc2ccccc21.
What is the InChIKey of N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
The InChIKey is UIQQVPNKGNAKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-18(2)7-8-19-11-6-4-3-5-10(11)9-12(19)13(20)17-14(15)16/h3-6,9H,7-8H2,1-2H3,(H4,15,16,17,20).
What are the key properties of N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide?
N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-1-[2-(dimethylamino)ethyl]indole-2-carboxamide is sourced from PubChem (CID 15290301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).