3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

C20H19N5O — CID 66967906

IUPAC3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
SMILESCN(Cc1cc2ccccc2n1C)C(=O)C=Cc1cnc(N)c(C#N)c1
InChIInChI=1S/C20H19N5O/c1-24(13-17-10-15-5-3-4-6-18(15)25(17)2)19(26)8-7-14-9-16(11-21)20(22)23-12-14/h3-10,12H,13H2,1-2H3,(H2,22,23)
InChIKeyCQVWZFABMJMKAS-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.70
Rot. Bonds4

About 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide

3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide (PubChem CID 66967906) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
PubChem CID66967906
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
SMILESCN(Cc1cc2ccccc2n1C)C(=O)C=Cc1cnc(N)c(C#N)c1
InChIInChI=1S/C20H19N5O/c1-24(13-17-10-15-5-3-4-6-18(15)25(17)2)19(26)8-7-14-9-16(11-21)20(22)23-12-14/h3-10,12H,13H2,1-2H3,(H2,22,23)
InChIKeyCQVWZFABMJMKAS-UHFFFAOYSA-N
XLogP2.70
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 71537605
(E)-3-(5-amino-7-oxo-8H-1,8-naphthyridin-3-yl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 23658182
(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(9H-pyrido[2,3-b]indol-3-yl)prop-2-enamide
CID 71537897
3-(6-anilino-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide
CID 67344688
N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl)prop-2-enamide
CID 66780925
(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-(2-oxo-1,5-dihydropyrido[2,3-e][1,4]oxazepin-7-yl)prop-2-enamide;hydrochloride
CID 23658178
N-[5-[3-[methyl-[(1-methylindol-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2-pyridinyl]-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 66966941
N-methyl-N-[(1-methylindol-2-yl)methyl]-3-[(7S)-8-oxo-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]prop-2-enamide
CID 66966428
(E)-N-methyl-N-[(1-methylindol-2-yl)methyl]-3-[(7S)-8-oxo-3,9,11-triazatricyclo[8.4.0.03,7]tetradeca-1(10),11,13-trien-13-yl]prop-2-enamide
CID 66966421
3-(6-amino-3-pyridinyl)-N-[(4,6-dichloro-1-methylindol-2-yl)methyl]-N-methylprop-2-enamide
CID 66780792
3-(2-aminopyrimidin-5-yl)-N-[(1,2-dimethylindol-3-yl)methyl]-N-methylprop-2-enamide
CID 66780861
4-(6-amino-5-cyano-3-pyridinyl)but-3-enoic acid
CID 170483669

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The IUPAC name of 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide (CID 66967906) is 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The canonical SMILES for 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide is CN(Cc1cc2ccccc2n1C)C(=O)C=Cc1cnc(N)c(C#N)c1.
What is the InChIKey of 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
The InChIKey is CQVWZFABMJMKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-24(13-17-10-15-5-3-4-6-18(15)25(17)2)19(26)8-7-14-9-16(11-21)20(22)23-12-14/h3-10,12H,13H2,1-2H3,(H2,22,23).
What are the key properties of 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide?
3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide has a molecular weight of 345.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-5-cyano-3-pyridinyl)-N-methyl-N-[(1-methylindol-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 66967906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).