N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide

C26H33N5O5 — CID 140786105

IUPACN-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide
SMILESCOc1ncc(-c2ccc3ncc(OCCN4CCOCC4)c(=O)n3c2)cc1CC(=O)NC(C)(C)C
InChIInChI=1S/C26H33N5O5/c1-26(2,3)29-23(32)14-19-13-20(15-28-24(19)34-4)18-5-6-22-27-16-21(25(33)31(22)17-18)36-12-9-30-7-10-35-11-8-30/h5-6,13,15-17H,7-12,14H2,1-4H3,(H,29,32)
InChIKeyFPDPSQSDAHNCTQ-UHFFFAOYSA-N
MW495.58 g/mol
LogP1.93
Rot. Bonds8

About N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide

N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide (PubChem CID 140786105) has the molecular formula C26H33N5O5 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide
PubChem CID140786105
Molecular FormulaC26H33N5O5
Molecular Weight495.58 g/mol
Exact Mass495.25
IUPAC NameN-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide
SMILESCOc1ncc(-c2ccc3ncc(OCCN4CCOCC4)c(=O)n3c2)cc1CC(=O)NC(C)(C)C
InChIInChI=1S/C26H33N5O5/c1-26(2,3)29-23(32)14-19-13-20(15-28-24(19)34-4)18-5-6-22-27-16-21(25(33)31(22)17-18)36-12-9-30-7-10-35-11-8-30/h5-6,13,15-17H,7-12,14H2,1-4H3,(H,29,32)
InChIKeyFPDPSQSDAHNCTQ-UHFFFAOYSA-N
XLogP1.93
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-(5-ethyl-6-methoxy-3-pyridinyl)-3-(2-morpholin-4-ylethoxy)pyrido[1,2-a]pyrimidin-4-one
CID 129134184
2-chloro-4-fluoro-N-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]-2-methylcyclohexane-1-sulfonamide
CID 139417819
2-chloro-4-fluoro-N-[2-methoxy-5-[3-[2-(4-methylpiperazin-1-yl)ethoxy]-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 118613133
2-chloro-N-[5-[3-[2-(2,6-dimethylmorpholin-4-yl)ethoxy]-4-oxopyrido[1,2-a]pyrimidin-7-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 139417865
3-amino-N-tert-butyl-4-methyl-6-(2-morpholin-4-ylethoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 45142483
N-[2-methoxy-5-[3-(2-methoxyethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]-3-methylthiophene-2-sulfonamide
CID 118617112
4-[2-[[5-(4-methylphenyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 126471082
2,4-difluoro-N-[2-methoxy-5-[4-oxo-3-(2-piperidin-4-ylethoxy)pyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]benzenesulfonamide
CID 140828753
N-[5-[3-[2-(dimethylamino)ethoxy]-4-oxopyrido[1,2-a]pyrimidin-7-yl]-2-methoxy-3-pyridinyl]-3-methylthiophene-2-sulfonamide
CID 118613278
N-tert-butyl-2-[2-methoxy-6-[(2-morpholin-4-ylethylamino)methyl]phenoxy]acetamide;dihydrochloride
CID 17053452
3-(4-methylpyrazol-1-yl)-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]propanamide
CID 48626511
2-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20992642

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide?
The IUPAC name of N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide (CID 140786105) is N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide is COc1ncc(-c2ccc3ncc(OCCN4CCOCC4)c(=O)n3c2)cc1CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide?
The InChIKey is FPDPSQSDAHNCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O5/c1-26(2,3)29-23(32)14-19-13-20(15-28-24(19)34-4)18-5-6-22-27-16-21(25(33)31(22)17-18)36-12-9-30-7-10-35-11-8-30/h5-6,13,15-17H,7-12,14H2,1-4H3,(H,29,32).
What are the key properties of N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide?
N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide has a molecular weight of 495.58 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-methoxy-5-[3-(2-morpholin-4-ylethoxy)-4-oxopyrido[1,2-a]pyrimidin-7-yl]-3-pyridinyl]acetamide is sourced from PubChem (CID 140786105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).