6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide

C22H30N6O2 — CID 143724224

IUPAC6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide
SMILESCNc1[nH]c2cc(-c3cccc(CNCCN(C)C)c3)ccc2c1C(N)=O.NC=O
InChIInChI=1S/C21H27N5O.CH3NO/c1-23-21-19(20(22)27)17-8-7-16(12-18(17)25-21)15-6-4-5-14(11-15)13-24-9-10-26(2)3;2-1-3/h4-8,11-12,23-25H,9-10,13H2,1-3H3,(H2,22,27);1H,(H2,2,3)
InChIKeyMZFFDGVRHIRXRO-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.73
Rot. Bonds8

About 6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide

6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide (PubChem CID 143724224) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide.

Molecular Properties

Compound Name6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide
PubChem CID143724224
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide
SMILESCNc1[nH]c2cc(-c3cccc(CNCCN(C)C)c3)ccc2c1C(N)=O.NC=O
InChIInChI=1S/C21H27N5O.CH3NO/c1-23-21-19(20(22)27)17-8-7-16(12-18(17)25-21)15-6-4-5-14(11-15)13-24-9-10-26(2)3;2-1-3/h4-8,11-12,23-25H,9-10,13H2,1-3H3,(H2,22,27);1H,(H2,2,3)
InChIKeyMZFFDGVRHIRXRO-UHFFFAOYSA-N
XLogP1.73
TPSA129.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 11960733
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CID 25190732
2-{2-fluoro-4-[(2S)-piperidin-2-yl]phenyl}-1H-benzimidazole-7-carboxamide
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CID 16666250
2-[2-Fluoro-4-[(2S)-2-pyrrolidinyl]phenyl]-1H-benzimidazole-7-carboxamide
CID 16666333
2,3-dimethyl-4-[2-methyl-3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide
CID 121293911
2,3-dimethyl-4-[3-[methyl(prop-2-enoyl)amino]phenyl]-1H-indole-7-carboxamide
CID 121293943
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CID 44623996
3-(2-Diethylamino-propionamino)-rutaecarpine
CID 44624062
N-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
CID 145945998
Hdac3-IN-3
CID 145986322

Frequently Asked Questions

What is the IUPAC name of 6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide?
The IUPAC name of 6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide (CID 143724224) is 6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide.
What is the SMILES notation for 6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide?
The canonical SMILES for 6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide is CNc1[nH]c2cc(-c3cccc(CNCCN(C)C)c3)ccc2c1C(N)=O.NC=O.
What is the InChIKey of 6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide?
The InChIKey is MZFFDGVRHIRXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O.CH3NO/c1-23-21-19(20(22)27)17-8-7-16(12-18(17)25-21)15-6-4-5-14(11-15)13-24-9-10-26(2)3;2-1-3/h4-8,11-12,23-25H,9-10,13H2,1-3H3,(H2,22,27);1H,(H2,2,3).
What are the key properties of 6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide?
6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide has a molecular weight of 410.52 g/mol, XLogP of 1.73, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide is sourced from PubChem (CID 143724224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).