6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide

C23H26FN7O2 — CID 139540952

IUPAC6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESC/C(N)=C(\c1cn(-c2ccc(C(=O)NC3CCOCC3)cn2)cn1)N(N)c1ccc(F)cc1
InChIInChI=1S/C23H26FN7O2/c1-15(25)22(31(26)19-5-3-17(24)4-6-19)20-13-30(14-28-20)21-7-2-16(12-27-21)23(32)29-18-8-10-33-11-9-18/h2-7,12-14,18H,8-11,25-26H2,1H3,(H,29,32)/b22-15-
InChIKeyAHZGNNNZNQJDNP-JCMHNJIXSA-N
MW451.51 g/mol
LogP2.34
Rot. Bonds6

About 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide

6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide (PubChem CID 139540952) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
PubChem CID139540952
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
SMILESC/C(N)=C(\c1cn(-c2ccc(C(=O)NC3CCOCC3)cn2)cn1)N(N)c1ccc(F)cc1
InChIInChI=1S/C23H26FN7O2/c1-15(25)22(31(26)19-5-3-17(24)4-6-19)20-13-30(14-28-20)21-7-2-16(12-27-21)23(32)29-18-8-10-33-11-9-18/h2-7,12-14,18H,8-11,25-26H2,1H3,(H,29,32)/b22-15-
InChIKeyAHZGNNNZNQJDNP-JCMHNJIXSA-N
XLogP2.34
TPSA124.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-cyclopropylpyridine-3-carboxamide
CID 139540756
6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide
CID 139540960
6-[4-[5-(4-fluorophenyl)-3-methyltriazol-4-yl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 57378788
6-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-yl)pyridine-3-carboxamide
CID 110091031
6-[4-[(Z)-2-amino-1-[amino(methyl)amino]-2-(2-fluorophenyl)ethenyl]imidazol-1-yl]-N-(3-methyloxetan-3-yl)pyridine-3-carboxamide
CID 139540942
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761
N'-(4-fluorobenzoyl)-6-morpholin-4-ylpyridine-3-carbohydrazide
CID 46697479
6-fluoro-N-(oxan-4-yl)quinoline-3-carboxamide
CID 166186547
N-cycloheptyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]imidazole-4-carboxamide
CID 53157027
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(oxan-4-yl)benzamide
CID 43610520
N-[(3R)-1-methylpyrrolidin-3-yl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 59818085
N-(1-methylpyrrolidin-3-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 72570198

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide (CID 139540952) is 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide is C/C(N)=C(\c1cn(-c2ccc(C(=O)NC3CCOCC3)cn2)cn1)N(N)c1ccc(F)cc1.
What is the InChIKey of 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide?
The InChIKey is AHZGNNNZNQJDNP-JCMHNJIXSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-15(25)22(31(26)19-5-3-17(24)4-6-19)20-13-30(14-28-20)21-7-2-16(12-27-21)23(32)29-18-8-10-33-11-9-18/h2-7,12-14,18H,8-11,25-26H2,1H3,(H,29,32)/b22-15-.
What are the key properties of 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide?
6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide has a molecular weight of 451.51 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-(oxan-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 139540952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).