(Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide

C23H23N7O2 — CID 155477820

IUPAC(Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)/C=C\C(=O)NC(C)(C)CC#N)ncc2c(N)n1
InChIInChI=1S/C23H23N7O2/c1-14-6-9-26-12-16(14)18-10-15-11-19(27-13-17(15)22(25)28-18)29-20(31)4-5-21(32)30-23(2,3)7-8-24/h4-6,9-13H,7H2,1-3H3,(H2,25,28)(H,30,32)(H,27,29,31)/b5-4-
InChIKeyMPVUNVDOFCYALQ-PLNGDYQASA-N
MW429.48 g/mol
LogP2.89
Rot. Bonds6

About (Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide

(Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide (PubChem CID 155477820) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is (Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide.

Molecular Properties

Compound Name(Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide
PubChem CID155477820
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name(Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide
SMILESCc1ccncc1-c1cc2cc(NC(=O)/C=C\C(=O)NC(C)(C)CC#N)ncc2c(N)n1
InChIInChI=1S/C23H23N7O2/c1-14-6-9-26-12-16(14)18-10-15-11-19(27-13-17(15)22(25)28-18)29-20(31)4-5-21(32)30-23(2,3)7-8-24/h4-6,9-13H,7H2,1-3H3,(H2,25,28)(H,30,32)(H,27,29,31)/b5-4-
InChIKeyMPVUNVDOFCYALQ-PLNGDYQASA-N
XLogP2.89
TPSA146.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide with MolForge

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Launch Full Analysis

Related Compounds

(E)-N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-(cyanomethyl)but-2-enediamide
CID 155478679
(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
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
CID 135349081
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
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]-N-[2-(3-cyanophenyl)ethyl]oxamide
CID 155477709
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]-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]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
CID 140921107
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-[4-(1-methylpyrazol-3-yl)cyclohexylidene]acetamide
CID 155477917
2-[4-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyrazol-1-yl]propanenitrile
CID 135344550

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide?
The IUPAC name of (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) is (Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide.
What is the SMILES notation for (Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide?
The canonical SMILES for (Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide is Cc1ccncc1-c1cc2cc(NC(=O)/C=C\C(=O)NC(C)(C)CC#N)ncc2c(N)n1.
What is the InChIKey of (Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide?
The InChIKey is MPVUNVDOFCYALQ-PLNGDYQASA-N. The full InChI is InChI=1S/C23H23N7O2/c1-14-6-9-26-12-16(14)18-10-15-11-19(27-13-17(15)22(25)28-18)29-20(31)4-5-21(32)30-23(2,3)7-8-24/h4-6,9-13H,7H2,1-3H3,(H2,25,28)(H,30,32)(H,27,29,31)/b5-4-.
What are the key properties of (Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide?
(Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide has a molecular weight of 429.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N'-(1-cyano-2-methylpropan-2-yl)but-2-enediamide is sourced from PubChem (CID 155477820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).