3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide

C22H25N5O4 — CID 44783219

IUPAC3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCCNC(=O)c1cccn2c(=O)c(NCC(=O)NCc3ccccc3OC)cnc12
InChIInChI=1S/C22H25N5O4/c1-3-10-23-21(29)16-8-6-11-27-20(16)26-13-17(22(27)30)24-14-19(28)25-12-15-7-4-5-9-18(15)31-2/h4-9,11,13,24H,3,10,12,14H2,1-2H3,(H,23,29)(H,25,28)
InChIKeyGYCYEABWWDLTOW-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.57
Rot. Bonds9

About 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide

3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide (PubChem CID 44783219) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide.

Molecular Properties

Compound Name3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
PubChem CID44783219
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide
SMILESCCCNC(=O)c1cccn2c(=O)c(NCC(=O)NCc3ccccc3OC)cnc12
InChIInChI=1S/C22H25N5O4/c1-3-10-23-21(29)16-8-6-11-27-20(16)26-13-17(22(27)30)24-14-19(28)25-12-15-7-4-5-9-18(15)31-2/h4-9,11,13,24H,3,10,12,14H2,1-2H3,(H,23,29)(H,25,28)
InChIKeyGYCYEABWWDLTOW-UHFFFAOYSA-N
XLogP1.57
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(propylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783214
2-[[9-[(4-fluorophenyl)methylcarbamoyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]amino]acetic acid
CID 44783182
2-methoxy-N-(9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 18891605
N-(furan-2-ylmethyl)-4-oxo-3-[[2-oxo-2-(phenacylamino)ethyl]amino]pyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783213
N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857811
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
3-(2-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 50812843
2-(2-methoxyanilino)-N-(propylcarbamoyl)acetamide
CID 37472990
3-[(2-cyanophenyl)methylamino]-N-[(4-fluorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-9-carboxamide
CID 44783152
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The IUPAC name of 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide (CID 44783219) is 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide.
What is the SMILES notation for 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The canonical SMILES for 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide is CCCNC(=O)c1cccn2c(=O)c(NCC(=O)NCc3ccccc3OC)cnc12.
What is the InChIKey of 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
The InChIKey is GYCYEABWWDLTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-3-10-23-21(29)16-8-6-11-27-20(16)26-13-17(22(27)30)24-14-19(28)25-12-15-7-4-5-9-18(15)31-2/h4-9,11,13,24H,3,10,12,14H2,1-2H3,(H,23,29)(H,25,28).
What are the key properties of 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide?
3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 1.57, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-oxo-N-propylpyrido[1,2-a]pyrimidine-9-carboxamide is sourced from PubChem (CID 44783219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).