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

C24H29N3O4 — CID 78902842

IUPACN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCOc1ccc(C(C)NC(=O)c2cnc3cc(C)ccn3c2=O)cc1OC
InChIInChI=1S/C24H29N3O4/c1-5-6-7-12-31-20-9-8-18(14-21(20)30-4)17(3)26-23(28)19-15-25-22-13-16(2)10-11-27(22)24(19)29/h8-11,13-15,17H,5-7,12H2,1-4H3,(H,26,28)
InChIKeyJWKRXQOXHWJKSC-UHFFFAOYSA-N
MW423.51 g/mol
LogP4.07
Rot. Bonds9

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

N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 78902842) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID78902842
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCOc1ccc(C(C)NC(=O)c2cnc3cc(C)ccn3c2=O)cc1OC
InChIInChI=1S/C24H29N3O4/c1-5-6-7-12-31-20-9-8-18(14-21(20)30-4)17(3)26-23(28)19-15-25-22-13-16(2)10-11-27(22)24(19)29/h8-11,13-15,17H,5-7,12H2,1-4H3,(H,26,28)
InChIKeyJWKRXQOXHWJKSC-UHFFFAOYSA-N
XLogP4.07
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 95132933
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86995231
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55785647
N-(2,5-dimethoxyphenyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878698
N-[1-(3-methoxy-4-tetradecoxyphenyl)ethyl]-1-methylpyridin-1-ium-2-carboxamide
CID 19016217
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
2-(aminomethyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119722954
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119722949
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
N-[(3-methoxy-4-pentoxyphenyl)-[(3-methylbenzoyl)amino]methyl]-3-methylbenzamide
CID 5245031

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 78902842) is N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCCOc1ccc(C(C)NC(=O)c2cnc3cc(C)ccn3c2=O)cc1OC.
What is the InChIKey of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is JWKRXQOXHWJKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-5-6-7-12-31-20-9-8-18(14-21(20)30-4)17(3)26-23(28)19-15-25-22-13-16(2)10-11-27(22)24(19)29/h8-11,13-15,17H,5-7,12H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 4.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 78902842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).