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

C21H24FN7O — CID 139540960

IUPAC6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESC/C(N)=C(\c1cn(-c2ccc(C(=O)NC(C)C)cn2)cn1)N(N)c1ccc(F)cc1
InChIInChI=1S/C21H24FN7O/c1-13(2)27-21(30)15-4-9-19(25-10-15)28-11-18(26-12-28)20(14(3)23)29(24)17-7-5-16(22)6-8-17/h4-13H,23-24H2,1-3H3,(H,27,30)/b20-14-
InChIKeyLOKABYYTMCQBSQ-ZHZULCJRSA-N
MW409.47 g/mol
LogP2.57
Rot. Bonds6

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

6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 139540960) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID139540960
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide
SMILESC/C(N)=C(\c1cn(-c2ccc(C(=O)NC(C)C)cn2)cn1)N(N)c1ccc(F)cc1
InChIInChI=1S/C21H24FN7O/c1-13(2)27-21(30)15-4-9-19(25-10-15)28-11-18(26-12-28)20(14(3)23)29(24)17-7-5-16(22)6-8-17/h4-13H,23-24H2,1-3H3,(H,27,30)/b20-14-
InChIKeyLOKABYYTMCQBSQ-ZHZULCJRSA-N
XLogP2.57
TPSA115.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(oxan-4-yl)pyridine-3-carboxamide
CID 139540952
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
6-(3-methylpyrazol-1-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 53014458
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 60555147
1-[6-(4-methylimidazol-1-yl)-3-pyridinyl]ethanone
CID 45096726
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
6-imidazol-1-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103856069
6-(difluoromethoxy)-N-propan-2-ylpyridine-3-carboxamide
CID 155585909
N-[1-(4-fluorophenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-N-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3213417
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 95560076
methyl 2-[(6-fluoropyridine-3-carbonyl)amino]propanoate
CID 63977637

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-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide (CID 139540960) is 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-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-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide is C/C(N)=C(\c1cn(-c2ccc(C(=O)NC(C)C)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-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LOKABYYTMCQBSQ-ZHZULCJRSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-13(2)27-21(30)15-4-9-19(25-10-15)28-11-18(26-12-28)20(14(3)23)29(24)17-7-5-16(22)6-8-17/h4-13H,23-24H2,1-3H3,(H,27,30)/b20-14-.
What are the key properties of 6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide?
6-[4-[(Z)-2-amino-1-(N-amino-4-fluoroanilino)prop-1-enyl]imidazol-1-yl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 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-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 139540960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).