N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide

C26H29N7O3 — CID 135256376

IUPACN-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(/C(N)=C/N(N)Cc2cccc(C(C)OC)n2)cc(-c2cccc(C#N)c2)n1
InChIInChI=1S/C26H29N7O3/c1-17(36-3)23-9-5-8-21(30-23)14-33(29)15-22(28)20-11-24(19-7-4-6-18(10-19)13-27)31-25(12-20)32-26(34)16-35-2/h4-12,15,17H,14,16,28-29H2,1-3H3,(H,31,32,34)/b22-15-
InChIKeyQFYPRLMSLYDLHY-JCMHNJIXSA-N
MW487.56 g/mol
LogP2.94
Rot. Bonds10

About N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide

N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide (PubChem CID 135256376) has the molecular formula C26H29N7O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide
PubChem CID135256376
Molecular FormulaC26H29N7O3
Molecular Weight487.56 g/mol
Exact Mass487.23
IUPAC NameN-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cc(/C(N)=C/N(N)Cc2cccc(C(C)OC)n2)cc(-c2cccc(C#N)c2)n1
InChIInChI=1S/C26H29N7O3/c1-17(36-3)23-9-5-8-21(30-23)14-33(29)15-22(28)20-11-24(19-7-4-6-18(10-19)13-27)31-25(12-20)32-26(34)16-35-2/h4-12,15,17H,14,16,28-29H2,1-3H3,(H,31,32,34)/b22-15-
InChIKeyQFYPRLMSLYDLHY-JCMHNJIXSA-N
XLogP2.94
TPSA152.41 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3-cyanophenyl)-4-[1-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]triazol-4-yl]-2-pyridinyl]-2-phenoxyacetamide
CID 135242056
N-[6-(3-cyanophenyl)-4-[1-[[6-(dimethoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]-2-pyridinyl]-2-phenoxyacetamide
CID 142404267
3-[2-amino-6-[2-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 167059482
N-[6-(3-ethynylphenyl)-4-[1-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]triazol-4-yl]-2-pyridinyl]-2-phenoxyacetamide
CID 164986451
N-[4-(3-cyanophenyl)-6-[1-[[6-[cyclopentyl(methoxy)methyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-methoxyacetamide
CID 135256117
3-[2-[[(1R,2R)-2-hydroxycyclopentyl]amino]-6-[1-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-4-yl]benzonitrile
CID 135256108
3-[6-[1-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]triazol-4-yl]-2-(2-phenoxyethylamino)pyrimidin-4-yl]benzonitrile
CID 135241539
N-[4-(3-cyanophenyl)-6-[2-[[6-[cyclopentyl(methoxy)methyl]-2-pyridinyl]methylimino]ethanehydrazonoyl]pyrimidin-2-yl]-2-phenoxyacetamide
CID 174112123
N-[4-(3-cyanophenyl)-6-[1-[[6-[cyclopentyl(methoxy)methyl]-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]-2-phenoxyacetamide
CID 135256116
methyl 6-[[4-[2-amino-6-(3-cyanophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridine-2-carboxylate
CID 135255894
[2-(3-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782584
2-methylpropyl 2-[[4-(3-cyanophenyl)-6-[1-[[6-(methoxymethyl)-2-pyridinyl]methyl]triazol-4-yl]pyrimidin-2-yl]amino]acetate
CID 135277840

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide?
The IUPAC name of N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide (CID 135256376) is N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide is COCC(=O)Nc1cc(/C(N)=C/N(N)Cc2cccc(C(C)OC)n2)cc(-c2cccc(C#N)c2)n1.
What is the InChIKey of N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide?
The InChIKey is QFYPRLMSLYDLHY-JCMHNJIXSA-N. The full InChI is InChI=1S/C26H29N7O3/c1-17(36-3)23-9-5-8-21(30-23)14-33(29)15-22(28)20-11-24(19-7-4-6-18(10-19)13-27)31-25(12-20)32-26(34)16-35-2/h4-12,15,17H,14,16,28-29H2,1-3H3,(H,31,32,34)/b22-15-.
What are the key properties of N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide?
N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide has a molecular weight of 487.56 g/mol, XLogP of 2.94, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-1-amino-2-[amino-[[6-(1-methoxyethyl)-2-pyridinyl]methyl]amino]ethenyl]-6-(3-cyanophenyl)-2-pyridinyl]-2-methoxyacetamide is sourced from PubChem (CID 135256376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).