4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C21H18N4O3 — CID 172659977

IUPAC4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C21H18N4O3/c1-13-6-8-25(12-14-3-2-7-22-11-14)21(28)19(13)20(27)23-16-4-5-17-15(9-16)10-18(26)24-17/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyIWEHJFVNXHLHCR-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.35
Rot. Bonds4

About 4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide

4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 172659977) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID172659977
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)Nc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C21H18N4O3/c1-13-6-8-25(12-14-3-2-7-22-11-14)21(28)19(13)20(27)23-16-4-5-17-15(9-16)10-18(26)24-17/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,26)
InChIKeyIWEHJFVNXHLHCR-UHFFFAOYSA-N
XLogP2.35
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 172659977) is 4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is Cc1ccn(Cc2cccnc2)c(=O)c1C(=O)Nc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is IWEHJFVNXHLHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-6-8-25(12-14-3-2-7-22-11-14)21(28)19(13)20(27)23-16-4-5-17-15(9-16)10-18(26)24-17/h2-9,11H,10,12H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 172659977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).