3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide

C24H25F2N5O5 — CID 143391831

IUPAC3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide
SMILES[H]/N=C(\C=C/NC(F)F)NC(=O)c1cc(Oc2ccc(C(=O)N3CCC3)nc2)cc(OC2CCOC2)c1
InChIInChI=1S/C24H25F2N5O5/c25-24(26)28-6-4-21(27)30-22(32)15-10-18(12-19(11-15)36-17-5-9-34-14-17)35-16-2-3-20(29-13-16)23(33)31-7-1-8-31/h2-4,6,10-13,17,24,28H,1,5,7-9,14H2,(H2,27,30,32)/b6-4-
InChIKeyCXRVOIFYUROFJD-XQRVVYSFSA-N
MW501.49 g/mol
LogP2.92
Rot. Bonds9

About 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide

3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide (PubChem CID 143391831) has the molecular formula C24H25F2N5O5 and a molecular weight of 501.49 g/mol. Its IUPAC name is 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound Name3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide
PubChem CID143391831
Molecular FormulaC24H25F2N5O5
Molecular Weight501.49 g/mol
Exact Mass501.18
IUPAC Name3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide
SMILES[H]/N=C(\C=C/NC(F)F)NC(=O)c1cc(Oc2ccc(C(=O)N3CCC3)nc2)cc(OC2CCOC2)c1
InChIInChI=1S/C24H25F2N5O5/c25-24(26)28-6-4-21(27)30-22(32)15-10-18(12-19(11-15)36-17-5-9-34-14-17)35-16-2-3-20(29-13-16)23(33)31-7-1-8-31/h2-4,6,10-13,17,24,28H,1,5,7-9,14H2,(H2,27,30,32)/b6-4-
InChIKeyCXRVOIFYUROFJD-XQRVVYSFSA-N
XLogP2.92
TPSA125.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.49
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-[(2S)-1-methoxypropan-2-yl]oxybenzamide
CID 162561192
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-5-(oxolan-3-yloxy)benzoic acid
CID 67315157
[(Z)-1-[[3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-5-[(2S)-butan-2-yl]oxybenzoyl]amino]-3-(methylamino)prop-2-enylidene]azanium
CID 163955306
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(3S)-oxolan-3-yl]oxybenzamide
CID 143406449
3-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-N-(1-ethylpyrazol-3-yl)-5-(oxolan-3-yloxy)benzamide
CID 73224081
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(3S)-oxolan-3-yl]oxybenzamide;molecular hydrogen
CID 143406448
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-(4,5-dihydro-1,3-thiazol-2-yl)-5-propan-2-yloxybenzamide
CID 70831898
4-[5-(azetidine-1-carbonyl)pyrazin-2-yl]oxy-2,2-dimethyl-N-[(Z)-3-(methylamino)prop-2-enimidoyl]-3H-1-benzofuran-6-carboxamide
CID 143566182
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-5-[(2S)-1-hydroxypropan-2-yl]oxybenzamide
CID 143391741
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-5-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide
CID 69085165
1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
CID 83119185
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-5-[(3R)-1-cyclopropyl-2-oxopyrrolidin-3-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide
CID 24953015

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide?
The IUPAC name of 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide (CID 143391831) is 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide?
The canonical SMILES for 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide is [H]/N=C(\C=C/NC(F)F)NC(=O)c1cc(Oc2ccc(C(=O)N3CCC3)nc2)cc(OC2CCOC2)c1.
What is the InChIKey of 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide?
The InChIKey is CXRVOIFYUROFJD-XQRVVYSFSA-N. The full InChI is InChI=1S/C24H25F2N5O5/c25-24(26)28-6-4-21(27)30-22(32)15-10-18(12-19(11-15)36-17-5-9-34-14-17)35-16-2-3-20(29-13-16)23(33)31-7-1-8-31/h2-4,6,10-13,17,24,28H,1,5,7-9,14H2,(H2,27,30,32)/b6-4-.
What are the key properties of 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide?
3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide has a molecular weight of 501.49 g/mol, XLogP of 2.92, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(azetidine-1-carbonyl)-3-pyridinyl]oxy]-N-[(Z)-3-(difluoromethylamino)prop-2-enimidoyl]-5-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 143391831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).