N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide

C26H27N5O4 — CID 24831013

IUPACN-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(OC)c4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H27N5O4/c1-17(32)27-13-14-31-25-22(29-24(26(31)33)19-7-9-20(34-2)10-8-19)11-12-23(30-25)28-16-18-5-4-6-21(15-18)35-3/h4-12,15H,13-14,16H2,1-3H3,(H,27,32)(H,28,30)
InChIKeyYMSXWSZJIGJSRC-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.22
Rot. Bonds9

About N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide

N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24831013) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24831013
Molecular FormulaC26H27N5O4
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC NameN-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(OC)c4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H27N5O4/c1-17(32)27-13-14-31-25-22(29-24(26(31)33)19-7-9-20(34-2)10-8-19)11-12-23(30-25)28-16-18-5-4-6-21(15-18)35-3/h4-12,15H,13-14,16H2,1-3H3,(H,27,32)(H,28,30)
InChIKeyYMSXWSZJIGJSRC-UHFFFAOYSA-N
XLogP3.22
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
(5-Amino-1,2-dihydro-3-(4-methoxyphenyl)-2-methylpyrido(3,4-b)pyrazin-7-yl)carbamic acid ethyl ester
CID 459864
ethyl N-[5-amino-3-[4-(butylcarbamoyloxy)phenyl]-2-methyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
CID 10026259
2-[3-(4-Methylphenoxy)phenyl]-1-[8-(trifluoromethyl)-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 76314247
N-[6-(Cyclohexanecarbonyl-amino)-pyridin-3-yl]-3-methoxy-benzamide
CID 1452688
N-[6-(cyclopropanecarbonylamino)pyridin-3-yl]-3-methoxybenzamide
CID 1452890
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
Carbamic acid, (5-amino-1,2-dihydro-3-(3-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
CID 150002
Carbamic acid, (5-amino-1,2-dihydro-3-(4-methoxyphenyl)pyrido(3,4-b)pyrazin-7-yl)-, ethyl ester
CID 150003
N-[1-[(Z)-[(cyanoamino)-[(2-methyl-3-pyridinyl)amino]methylidene]amino]-2,2-dimethylpropyl]-4-(4-methoxyphenyl)butanamide
CID 11453381
Ethyl 5-amino-3-[4-(benzyloxy)phenyl]-1,2-dihydro-2-methylpyrido[3,4-b]pyrazin-7-ylcarbamate
CID 19906255
N-[2-(4-Ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-3-(4-methoxy-phenyl)-propionamide
CID 22421743

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24831013) is N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is COc1ccc(-c2nc3ccc(NCc4cccc(OC)c4)nc3n(CCNC(C)=O)c2=O)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is YMSXWSZJIGJSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-17(32)27-13-14-31-25-22(29-24(26(31)33)19-7-9-20(34-2)10-8-19)11-12-23(30-25)28-16-18-5-4-6-21(15-18)35-3/h4-12,15H,13-14,16H2,1-3H3,(H,27,32)(H,28,30).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 473.53 g/mol, XLogP of 3.22, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-6-[(3-methoxyphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24831013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).