N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide

C22H26N8O3 — CID 170633975

IUPACN-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cnc(C)c(NC(=O)/C(=N/N)c2ccc(C(=C/N)/C=N/C3COC3)cn2)c1
InChIInChI=1S/C22H26N8O3/c1-3-20(31)28-16-6-19(13(2)25-10-16)29-22(32)21(30-24)18-5-4-14(8-27-18)15(7-23)9-26-17-11-33-12-17/h4-10,17H,3,11-12,23-24H2,1-2H3,(H,28,31)(H,29,32)/b15-7+,26-9+,30-21+
InChIKeyHZVSYYBHJKSDPR-HBDBKCEDSA-N
MW450.50 g/mol
LogP1.20
Rot. Bonds8

About N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide

N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide (PubChem CID 170633975) has the molecular formula C22H26N8O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide
PubChem CID170633975
Molecular FormulaC22H26N8O3
Molecular Weight450.50 g/mol
Exact Mass450.21
IUPAC NameN-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1cnc(C)c(NC(=O)/C(=N/N)c2ccc(C(=C/N)/C=N/C3COC3)cn2)c1
InChIInChI=1S/C22H26N8O3/c1-3-20(31)28-16-6-19(13(2)25-10-16)29-22(32)21(30-24)18-5-4-14(8-27-18)15(7-23)9-26-17-11-33-12-17/h4-10,17H,3,11-12,23-24H2,1-2H3,(H,28,31)(H,29,32)/b15-7+,26-9+,30-21+
InChIKeyHZVSYYBHJKSDPR-HBDBKCEDSA-N
XLogP1.20
TPSA169.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-dimethylcyclopentyl)-N-[5-[[(2E)-2-hydrazinylidene-2-[5-[1-(oxetan-3-yl)pyrazol-3-yl]-2-pyridinyl]acetyl]amino]-6-methyl-3-pyridinyl]butanamide
CID 170634315
(2E)-2-hydrazinylidene-N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-[5-[4-(2-oxoethyl)phenyl]-2-pyridinyl]acetamide
CID 170633679
N-[5-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methylphenyl]prop-2-enamide
CID 156833669
6-(4-carbamoylphenyl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]triazolo[1,5-a]pyridine-3-carboxamide
CID 170634223
N-[6-methyl-5-(oxetan-3-yl)-3-pyridinyl]-2-oxoacetamide
CID 175708010
(3Z)-3-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]-3-hydrazinylideneprop-1-en-1-one
CID 176524176
4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide
CID 66239629
5-[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-7-ethyl-1,2-dimethyl-2,7-dihydroazepin-1-ium-1-yl]-2-methyl-N-[2-methyl-5-[[2-(1,4-oxazepan-4-yl)acetyl]amino]-3-pyridinyl]pent-2-enamide
CID 170634023
3-[(2Z,4E)-5-amino-4-(5-hydroxy-5,6-dihydro-4H-1,3-oxazin-2-yl)hexa-2,4-dien-3-yl]sulfanyl-N-[2-methyl-5-(propanoylamino)-3-pyridinyl]-2H-pyrrole-4-carboxamide;2-ethyl-1,1-dimethylcyclobutane
CID 170635928
(Z)-2-amino-2-[5-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-2-pyridinyl]ethenol
CID 170633763
N-[6-[6-[5-(propanoylamino)-2-pyridinyl]-1,2,4,5-tetrazin-3-yl]-3-pyridinyl]propanamide
CID 160672212
(2E)-2-(aminomethylidene)-N-[5-[[2-(3,3-dimethylazetidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-4-methoxy-3-[(E)-3-methyl-2-(1-methylpyrazol-4-yl)but-1-enyl]iminopent-4-enamide
CID 170635694

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide?
The IUPAC name of N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide (CID 170633975) is N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide.
What is the SMILES notation for N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide?
The canonical SMILES for N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide is CCC(=O)Nc1cnc(C)c(NC(=O)/C(=N/N)c2ccc(C(=C/N)/C=N/C3COC3)cn2)c1.
What is the InChIKey of N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide?
The InChIKey is HZVSYYBHJKSDPR-HBDBKCEDSA-N. The full InChI is InChI=1S/C22H26N8O3/c1-3-20(31)28-16-6-19(13(2)25-10-16)29-22(32)21(30-24)18-5-4-14(8-27-18)15(7-23)9-26-17-11-33-12-17/h4-10,17H,3,11-12,23-24H2,1-2H3,(H,28,31)(H,29,32)/b15-7+,26-9+,30-21+.
What are the key properties of N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide?
N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide has a molecular weight of 450.50 g/mol, XLogP of 1.20, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2E)-2-[5-[(Z)-1-amino-3-(oxetan-3-ylimino)prop-1-en-2-yl]-2-pyridinyl]-2-hydrazinylideneacetyl]amino]-6-methyl-3-pyridinyl]propanamide is sourced from PubChem (CID 170633975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).