2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide

C20H26N4O2 — CID 154748110

IUPAC2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide
SMILESCCc1ncc2c(n1)CN(C(CC)C(=O)Nc1ccc(OC)cc1)CC2
InChIInChI=1S/C20H26N4O2/c1-4-18(20(25)22-15-6-8-16(26-3)9-7-15)24-11-10-14-12-21-19(5-2)23-17(14)13-24/h6-9,12,18H,4-5,10-11,13H2,1-3H3,(H,22,25)
InChIKeyABEYVPAIZKIRSI-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.82
Rot. Bonds6

About 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide

2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide (PubChem CID 154748110) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide
PubChem CID154748110
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide
SMILESCCc1ncc2c(n1)CN(C(CC)C(=O)Nc1ccc(OC)cc1)CC2
InChIInChI=1S/C20H26N4O2/c1-4-18(20(25)22-15-6-8-16(26-3)9-7-15)24-11-10-14-12-21-19(5-2)23-17(14)13-24/h6-9,12,18H,4-5,10-11,13H2,1-3H3,(H,22,25)
InChIKeyABEYVPAIZKIRSI-UHFFFAOYSA-N
XLogP2.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 126792536
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide
CID 16576209
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
(2R)-N-(4-methoxyphenyl)-2-(4-oxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-3-yl)butanamide
CID 92875609
N-(4-methoxyphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 51345697
methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate
CID 86895729
(2R)-2-hydroxy-N-(4-methoxyphenyl)butanamide
CID 139626636
(2S)-N-(4-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 94009917
N-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53014130
N-(4-chlorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]butanamide
CID 51345696
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528
N-(4-methoxyphenyl)-2-(4-methyl-2-oxoquinolin-1-yl)butanamide
CID 46301055

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide (CID 154748110) is 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide is CCc1ncc2c(n1)CN(C(CC)C(=O)Nc1ccc(OC)cc1)CC2.
What is the InChIKey of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide?
The InChIKey is ABEYVPAIZKIRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-18(20(25)22-15-6-8-16(26-3)9-7-15)24-11-10-14-12-21-19(5-2)23-17(14)13-24/h6-9,12,18H,4-5,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide?
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide has a molecular weight of 354.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 154748110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).