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

C26H27N5O3 — CID 24831014

IUPACN-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(C)c4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H27N5O3/c1-17-5-4-6-19(15-17)16-28-23-12-11-22-25(30-23)31(14-13-27-18(2)32)26(33)24(29-22)20-7-9-21(34-3)10-8-20/h4-12,15H,13-14,16H2,1-3H3,(H,27,32)(H,28,30)
InChIKeyCUZUNVLTQYLNFQ-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.52
Rot. Bonds8

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

N-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (PubChem CID 24831014) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
PubChem CID24831014
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cccc(C)c4)nc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H27N5O3/c1-17-5-4-6-19(15-17)16-28-23-12-11-22-25(30-23)31(14-13-27-18(2)32)26(33)24(29-22)20-7-9-21(34-3)10-8-20/h4-12,15H,13-14,16H2,1-3H3,(H,27,32)(H,28,30)
InChIKeyCUZUNVLTQYLNFQ-UHFFFAOYSA-N
XLogP3.52
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(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
1-(3,5-Dimethyl-4-methoxybenzoyl)-4-[3-[(1-methylethyl)amino]-2-pyridinyl]piperazine
CID 455376
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
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
1-Ethyl-3-(3-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl]-phenyl)-urea
CID 11495480
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11639248
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
3-(4-Methoxy-phenyl)-N-[4-methyl-2-(4-methyl-piperazin-1-yl)-quinolin-6-yl]-propionamide
CID 22422406
N-(2-aminophenyl)-4-[[(6-methoxy-2-pyridinyl)amino]methyl]benzamide
CID 22478706

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide (CID 24831014) is N-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is COc1ccc(-c2nc3ccc(NCc4cccc(C)c4)nc3n(CCNC(C)=O)c2=O)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
The InChIKey is CUZUNVLTQYLNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-17-5-4-6-19(15-17)16-28-23-12-11-22-25(30-23)31(14-13-27-18(2)32)26(33)24(29-22)20-7-9-21(34-3)10-8-20/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-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide?
N-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide has a molecular weight of 457.53 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-6-[(3-methylphenyl)methylamino]-3-oxopyrido[2,3-b]pyrazin-4-yl]ethyl]acetamide is sourced from PubChem (CID 24831014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).