N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C21H22N4O2 — CID 50964315

IUPACN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(CN1CCc2ccccc2C1)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C21H22N4O2/c1-15(13-24-11-9-16-6-2-3-7-17(16)14-24)23-20(26)18-12-22-19-8-4-5-10-25(19)21(18)27/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,23,26)
InChIKeyUNCOHKZIYVEKAW-UHFFFAOYSA-N
MW362.43 g/mol
LogP1.87
Rot. Bonds4

About N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 50964315) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID50964315
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(CN1CCc2ccccc2C1)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C21H22N4O2/c1-15(13-24-11-9-16-6-2-3-7-17(16)14-24)23-20(26)18-12-22-19-8-4-5-10-25(19)21(18)27/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,23,26)
InChIKeyUNCOHKZIYVEKAW-UHFFFAOYSA-N
XLogP1.87
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 50964315) is N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(CN1CCc2ccccc2C1)NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is UNCOHKZIYVEKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15(13-24-11-9-16-6-2-3-7-17(16)14-24)23-20(26)18-12-22-19-8-4-5-10-25(19)21(18)27/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,23,26).
What are the key properties of N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50964315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).