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'}

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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).