N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

C18H22N4O2 — CID 50970203

IUPACN-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1=CCCN(Cc2cc(=O)n3c(C)cccc3n2)C1
InChIInChI=1S/C18H22N4O2/c1-13-5-3-7-17-20-16(9-18(24)22(13)17)12-21-8-4-6-15(11-21)10-19-14(2)23/h3,5-7,9H,4,8,10-12H2,1-2H3,(H,19,23)
InChIKeyQMWQSYIPNKICDQ-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.27
Rot. Bonds4

About N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (PubChem CID 50970203) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
PubChem CID50970203
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1=CCCN(Cc2cc(=O)n3c(C)cccc3n2)C1
InChIInChI=1S/C18H22N4O2/c1-13-5-3-7-17-20-16(9-18(24)22(13)17)12-21-8-4-6-15(11-21)10-19-14(2)23/h3,5-7,9H,4,8,10-12H2,1-2H3,(H,19,23)
InChIKeyQMWQSYIPNKICDQ-UHFFFAOYSA-N
XLogP1.27
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 701421
CID 701421
CID 706411
CID 706411
CID 706436
CID 706436
CID 706437
CID 706437
CID 706451
CID 706451
CID 706452
CID 706452
CID 706454
CID 706454
CID 2928151
CID 2928151
CID 3151324
CID 3151324
CID 3151325
CID 3151325
CID 3151352
CID 3151352
CID 3151502
CID 3151502

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (CID 50970203) is N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is CC(=O)NCC1=CCCN(Cc2cc(=O)n3c(C)cccc3n2)C1.
What is the InChIKey of N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The InChIKey is QMWQSYIPNKICDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-5-3-7-17-20-16(9-18(24)22(13)17)12-21-8-4-6-15(11-21)10-19-14(2)23/h3,5-7,9H,4,8,10-12H2,1-2H3,(H,19,23).
What are the key properties of N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide has a molecular weight of 326.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 50970203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).