4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide

C22H32FN5O — CID 143325536

IUPAC4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide
SMILESCNCCCCC(C)NC=O.[H]/N=C(\c1ccc(F)cn1)c1cc(CC)ccc1N
InChIInChI=1S/C14H14FN3.C8H18N2O/c1-2-9-3-5-12(16)11(7-9)14(17)13-6-4-10(15)8-18-13;1-8(10-7-11)5-3-4-6-9-2/h3-8,17H,2,16H2,1H3;7-9H,3-6H2,1-2H3,(H,10,11)/b17-14-;
InChIKeyNUDSNPFROQTIPC-SBBUSYCLSA-N
MW401.53 g/mol
LogP3.29
Rot. Bonds10

About 4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide

4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide (PubChem CID 143325536) has the molecular formula C22H32FN5O and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide.

Molecular Properties

Compound Name4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide
PubChem CID143325536
Molecular FormulaC22H32FN5O
Molecular Weight401.53 g/mol
Exact Mass401.26
IUPAC Name4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide
SMILESCNCCCCC(C)NC=O.[H]/N=C(\c1ccc(F)cn1)c1cc(CC)ccc1N
InChIInChI=1S/C14H14FN3.C8H18N2O/c1-2-9-3-5-12(16)11(7-9)14(17)13-6-4-10(15)8-18-13;1-8(10-7-11)5-3-4-6-9-2/h3-8,17H,2,16H2,1H3;7-9H,3-6H2,1-2H3,(H,10,11)/b17-14-;
InChIKeyNUDSNPFROQTIPC-SBBUSYCLSA-N
XLogP3.29
TPSA103.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(5-fluoropyridine-2-carboximidoyl)aniline
CID 143325557
2-(3-fluorobenzenecarboximidoyl)-4-(methylaminomethyl)aniline
CID 142178906
1-(2-amino-5-ethylphenyl)-2-chloropropan-1-one
CID 130983756
5-fluoro-N-(7-methyloctyl)pyridin-2-amine
CID 107816143
2-amino-4-fluoro-N-(7-methyloctyl)benzamide
CID 62075011
3-amino-1-[6-[2-amino-5-[(2S)-2-(3,5-dichloro-4-pyridinyl)propyl]benzenecarboximidoyl]pyridazin-3-yl]azetidine-3-carbaldehyde;N-ethyl-N-methylethanamine
CID 170708826
N-(3-chlorobutyl)-5-fluoropyridine-2-carboxamide
CID 104643146
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675
2-fluoro-4-[(5-methylhexylamino)methyl]aniline
CID 113287600
4-[1-[2-[(5S)-2-[4-amino-3-(5-fluoropyridine-2-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 154586826
6-[2-amino-5-[(E)-1-(methylamino)prop-1-en-2-yl]benzenecarboximidoyl]-N-methylpyrimidin-4-amine
CID 144697128
N-(4-bromopentan-2-yl)-5-fluoropyridine-2-carboxamide
CID 104643211

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide?
The IUPAC name of 4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide (CID 143325536) is 4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide.
What is the SMILES notation for 4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide?
The canonical SMILES for 4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide is CNCCCCC(C)NC=O.[H]/N=C(\c1ccc(F)cn1)c1cc(CC)ccc1N.
What is the InChIKey of 4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide?
The InChIKey is NUDSNPFROQTIPC-SBBUSYCLSA-N. The full InChI is InChI=1S/C14H14FN3.C8H18N2O/c1-2-9-3-5-12(16)11(7-9)14(17)13-6-4-10(15)8-18-13;1-8(10-7-11)5-3-4-6-9-2/h3-8,17H,2,16H2,1H3;7-9H,3-6H2,1-2H3,(H,10,11)/b17-14-;.
What are the key properties of 4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide?
4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide has a molecular weight of 401.53 g/mol, XLogP of 3.29, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(5-fluoropyridine-2-carboximidoyl)aniline;N-[6-(methylamino)hexan-2-yl]formamide is sourced from PubChem (CID 143325536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).