N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide

C17H20FN5O2 — CID 146643951

IUPACN-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NCc2c(C3CC3)ccc(N)c2NN)cc1F
InChIInChI=1S/C17H20FN5O2/c1-25-17-13(18)6-10(7-22-17)16(24)21-8-12-11(9-2-3-9)4-5-14(19)15(12)23-20/h4-7,9,23H,2-3,8,19-20H2,1H3,(H,21,24)
InChIKeyRZTYVQCCAJUAME-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.90
Rot. Bonds6

About N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide

N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide (PubChem CID 146643951) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
PubChem CID146643951
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC NameN-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
SMILESCOc1ncc(C(=O)NCc2c(C3CC3)ccc(N)c2NN)cc1F
InChIInChI=1S/C17H20FN5O2/c1-25-17-13(18)6-10(7-22-17)16(24)21-8-12-11(9-2-3-9)4-5-14(19)15(12)23-20/h4-7,9,23H,2-3,8,19-20H2,1H3,(H,21,24)
InChIKeyRZTYVQCCAJUAME-UHFFFAOYSA-N
XLogP1.90
TPSA115.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-amino-6-cyclopropyl-2-methanimidoylphenyl)methyl]-3,4,5-trifluorobenzamide
CID 146642760
5-fluoro-6-methoxy-N-[(5-methyl-2H-benzotriazol-4-yl)methyl]pyridine-3-carboxamide
CID 142522029
N-[(3-ethyl-5-methoxybenzimidazol-4-yl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide
CID 137453592
5-fluoro-6-methoxy-N-[[5-methyl-3-(oxan-2-yl)benzotriazol-4-yl]methyl]pyridine-3-carboxamide
CID 142522009
5-fluoro-6-methoxy-N-[(5-methoxy-2,3-dimethylbenzimidazol-4-yl)methyl]pyridine-3-carboxamide
CID 137453613
N-[(3-amino-6-cyclopropyl-2-methanimidoylphenyl)methyl]-3-fluoro-4-(trifluoromethoxy)benzamide
CID 146643011
N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-4-(difluoromethyl)-3-fluorobenzamide
CID 137453584
N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 137453579
3,5-difluoro-4-hydrazinyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114957550
6-(difluoromethoxy)-5-fluoro-N-[(5-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 166012081
N-[(5-bromo-2-methoxyphenyl)methyl]-6-(difluoromethoxy)-5-fluoropyridine-3-carboxamide
CID 154659672
2-methylpropoxycarbonyl 5-fluoro-6-methoxypyridine-3-carboxylate
CID 87194470

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide (CID 146643951) is N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide is COc1ncc(C(=O)NCc2c(C3CC3)ccc(N)c2NN)cc1F.
What is the InChIKey of N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide?
The InChIKey is RZTYVQCCAJUAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-25-17-13(18)6-10(7-22-17)16(24)21-8-12-11(9-2-3-9)4-5-14(19)15(12)23-20/h4-7,9,23H,2-3,8,19-20H2,1H3,(H,21,24).
What are the key properties of N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide?
N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.90, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-6-cyclopropyl-2-hydrazinylphenyl)methyl]-5-fluoro-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 146643951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).