N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H21N3O3 — CID 111425907

IUPACN-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(O)C3CCCC3)cnc2c1
InChIInChI=1S/C17H21N3O3/c1-11-6-7-20-15(8-11)18-9-13(17(20)23)16(22)19-10-14(21)12-4-2-3-5-12/h6-9,12,14,21H,2-5,10H2,1H3,(H,19,22)
InChIKeyWJMITFFTWRDZPF-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.28
Rot. Bonds4

About N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 111425907) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID111425907
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(O)C3CCCC3)cnc2c1
InChIInChI=1S/C17H21N3O3/c1-11-6-7-20-15(8-11)18-9-13(17(20)23)16(22)19-10-14(21)12-4-2-3-5-12/h6-9,12,14,21H,2-5,10H2,1H3,(H,19,22)
InChIKeyWJMITFFTWRDZPF-UHFFFAOYSA-N
XLogP1.28
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4-methylpentan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 61245333
N-[1-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 62519471
N-(2-cyclopropyl-2-hydroxyethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 63295300
N-[(1-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 64195858
N-[(2-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 65833603
N-(2-ethyl-4-hydroxybutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 80304073
N-[(3-hydroxycyclopentyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103280731
N-[2-(hydroxymethyl)cyclopentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103751266
N-(2-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103770787
N-(5-hydroxy-4-methylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103862119
N-(6-hydroxyhexyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 103919061
N-(3-hydroxy-2,2,4-trimethylpentyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109381298

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 111425907) is N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCC(O)C3CCCC3)cnc2c1.
What is the InChIKey of N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WJMITFFTWRDZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-6-7-20-15(8-11)18-9-13(17(20)23)16(22)19-10-14(21)12-4-2-3-5-12/h6-9,12,14,21H,2-5,10H2,1H3,(H,19,22).
What are the key properties of N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentyl-2-hydroxyethyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 111425907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).