N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C23H23N3O4 — CID 42937782

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C23H23N3O4/c27-21(17-14-24-20-5-1-4-10-26(20)22(17)28)25-15-23(8-2-3-9-23)16-6-7-18-19(13-16)30-12-11-29-18/h1,4-7,10,13-14H,2-3,8-9,11-12,15H2,(H,25,27)
InChIKeyFGJSZLCYNUYHMQ-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.71
Rot. Bonds4

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 42937782) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID42937782
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cnc2ccccn2c1=O
InChIInChI=1S/C23H23N3O4/c27-21(17-14-24-20-5-1-4-10-26(20)22(17)28)25-15-23(8-2-3-9-23)16-6-7-18-19(13-16)30-12-11-29-18/h1,4-7,10,13-14H,2-3,8-9,11-12,15H2,(H,25,27)
InChIKeyFGJSZLCYNUYHMQ-UHFFFAOYSA-N
XLogP2.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 42937782) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCC1(c2ccc3c(c2)OCCO3)CCCC1)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is FGJSZLCYNUYHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c27-21(17-14-24-20-5-1-4-10-26(20)22(17)28)25-15-23(8-2-3-9-23)16-6-7-18-19(13-16)30-12-11-29-18/h1,4-7,10,13-14H,2-3,8-9,11-12,15H2,(H,25,27).
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42937782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).