N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide

C19H16FN5O — CID 139521752

IUPACN-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide
SMILES[H]/N=C/n1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)cc/c1=N\[H]
InChIInChI=1S/C19H16FN5O/c20-16-3-1-2-13(9-16)8-14-4-7-18(23-10-14)24-19(26)15-5-6-17(22)25(11-15)12-21/h1-7,9-12,21-22H,8H2,(H,23,24,26)/b21-12+,22-17+
InChIKeyKIAJGBDMDCFMBC-HYELQYBJSA-N
MW349.37 g/mol
LogP2.80
Rot. Bonds5

About N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide

N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide (PubChem CID 139521752) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide
PubChem CID139521752
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide
SMILES[H]/N=C/n1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)cc/c1=N\[H]
InChIInChI=1S/C19H16FN5O/c20-16-3-1-2-13(9-16)8-14-4-7-18(23-10-14)24-19(26)15-5-6-17(22)25(11-15)12-21/h1-7,9-12,21-22H,8H2,(H,23,24,26)/b21-12+,22-17+
InChIKeyKIAJGBDMDCFMBC-HYELQYBJSA-N
XLogP2.80
TPSA94.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 155700089
1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide
CID 139512605
5-bromo-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-1,2-thiazolidine-3-carboxamide
CID 155700104
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
N-[(3-fluorophenyl)methyl]-6-hydrazinylpyridine-3-carboxamide
CID 62243829
N-[5-(3-fluorophenoxy)-2-pyridinyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 139521826
6-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
1-[(3-fluorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-6-oxopyridine-3-carboxamide
CID 8671117
3-fluoro-N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028470
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
5-[(5-fluoro-3-pyridinyl)oxy]-2-imino-1-methanimidoyl-N-(5-methoxy-2-pyridinyl)pyridine-3-carboxamide;molecular hydrogen
CID 144848991
1-[4-[(3-fluorophenyl)methyl]phenyl]ethanimine
CID 123572426

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide (CID 139521752) is N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide is [H]/N=C/n1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)cc/c1=N\[H].
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide?
The InChIKey is KIAJGBDMDCFMBC-HYELQYBJSA-N. The full InChI is InChI=1S/C19H16FN5O/c20-16-3-1-2-13(9-16)8-14-4-7-18(23-10-14)24-19(26)15-5-6-17(22)25(11-15)12-21/h1-7,9-12,21-22H,8H2,(H,23,24,26)/b21-12+,22-17+.
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-imino-1-methanimidoylpyridine-3-carboxamide is sourced from PubChem (CID 139521752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).