N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide

C19H21N3O2 — CID 144743750

IUPACN-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide
SMILESCc1ccc2c(c1)CCC2N(CC(N)=O)C(=O)c1cccnc1C
InChIInChI=1S/C19H21N3O2/c1-12-5-7-16-14(10-12)6-8-17(16)22(11-18(20)23)19(24)15-4-3-9-21-13(15)2/h3-5,7,9-10,17H,6,8,11H2,1-2H3,(H2,20,23)
InChIKeyBHSIRBKTKSTQRD-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.31
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide

N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide (PubChem CID 144743750) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide
PubChem CID144743750
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide
SMILESCc1ccc2c(c1)CCC2N(CC(N)=O)C(=O)c1cccnc1C
InChIInChI=1S/C19H21N3O2/c1-12-5-7-16-14(10-12)6-8-17(16)22(11-18(20)23)19(24)15-4-3-9-21-13(15)2/h3-5,7,9-10,17H,6,8,11H2,1-2H3,(H2,20,23)
InChIKeyBHSIRBKTKSTQRD-UHFFFAOYSA-N
XLogP2.31
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide (CID 144743750) is N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide is Cc1ccc2c(c1)CCC2N(CC(N)=O)C(=O)c1cccnc1C.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide?
The InChIKey is BHSIRBKTKSTQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-12-5-7-16-14(10-12)6-8-17(16)22(11-18(20)23)19(24)15-4-3-9-21-13(15)2/h3-5,7,9-10,17H,6,8,11H2,1-2H3,(H2,20,23).
What are the key properties of N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide?
N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-methyl-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 144743750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).