N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide

C25H21N7O2 — CID 155477709

IUPACN'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C(=O)NCCc3cccc(C#N)c3)ncc2c(N)n1
InChIInChI=1S/C25H21N7O2/c1-15-5-7-28-13-19(15)21-10-18-11-22(30-14-20(18)23(27)31-21)32-25(34)24(33)29-8-6-16-3-2-4-17(9-16)12-26/h2-5,7,9-11,13-14H,6,8H2,1H3,(H2,27,31)(H,29,33)(H,30,32,34)
InChIKeyMZIALEATDNMPRY-UHFFFAOYSA-N
MW451.49 g/mol
LogP2.75
Rot. Bonds5

About N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide

N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide (PubChem CID 155477709) has the molecular formula C25H21N7O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide
PubChem CID155477709
Molecular FormulaC25H21N7O2
Molecular Weight451.49 g/mol
Exact Mass451.18
IUPAC NameN'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)C(=O)NCCc3cccc(C#N)c3)ncc2c(N)n1
InChIInChI=1S/C25H21N7O2/c1-15-5-7-28-13-19(15)21-10-18-11-22(30-14-20(18)23(27)31-21)32-25(34)24(33)29-8-6-16-3-2-4-17(9-16)12-26/h2-5,7,9-11,13-14H,6,8H2,1H3,(H2,27,31)(H,29,33)(H,30,32,34)
InChIKeyMZIALEATDNMPRY-UHFFFAOYSA-N
XLogP2.75
TPSA146.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide with MolForge

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Related Compounds

(E)-N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-(cyanomethyl)but-2-enediamide
CID 155478679
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
CID 135349081
(Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide
CID 155477820
[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
CID 135344703
cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 139469052
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-5-(3-cyano-2-pyridinyl)-5-azaspiro[2.3]hexane-2-carboxamide
CID 135345331
[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
CID 140921107
(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide
CID 155477816
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[3-(3-methyl-1,2,4-triazol-1-yl)cyclobutylidene]acetamide
CID 155477902
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 135345062

Frequently Asked Questions

What is the IUPAC name of N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide?
The IUPAC name of N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide (CID 155477709) is N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide.
What is the SMILES notation for N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide?
The canonical SMILES for N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide is Cc1ccncc1-c1cc2cc(NC(=O)C(=O)NCCc3cccc(C#N)c3)ncc2c(N)n1.
What is the InChIKey of N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide?
The InChIKey is MZIALEATDNMPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2/c1-15-5-7-28-13-19(15)21-10-18-11-22(30-14-20(18)23(27)31-21)32-25(34)24(33)29-8-6-16-3-2-4-17(9-16)12-26/h2-5,7,9-11,13-14H,6,8H2,1H3,(H2,27,31)(H,29,33)(H,30,32,34).
What are the key properties of N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide?
N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide has a molecular weight of 451.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-[2-(3-cyanophenyl)ethyl]oxamide is sourced from PubChem (CID 155477709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).