N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H22N4O3 — CID 135681019

IUPACN-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(O)nc2cc(C)ccn2c1=O
InChIInChI=1S/C16H22N4O3/c1-4-19(5-2)9-7-17-14(21)13-15(22)18-12-10-11(3)6-8-20(12)16(13)23/h6,8,10,22H,4-5,7,9H2,1-3H3,(H,17,21)
InChIKeyNRACBEBKSLHUEU-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.78
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135681019) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135681019
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1c(O)nc2cc(C)ccn2c1=O
InChIInChI=1S/C16H22N4O3/c1-4-19(5-2)9-7-17-14(21)13-15(22)18-12-10-11(3)6-8-20(12)16(13)23/h6,8,10,22H,4-5,7,9H2,1-3H3,(H,17,21)
InChIKeyNRACBEBKSLHUEU-UHFFFAOYSA-N
XLogP0.78
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135681019) is N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCN(CC)CCNC(=O)c1c(O)nc2cc(C)ccn2c1=O.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NRACBEBKSLHUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-19(5-2)9-7-17-14(21)13-15(22)18-12-10-11(3)6-8-20(12)16(13)23/h6,8,10,22H,4-5,7,9H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135681019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).