6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C23H23FN6O — CID 59740961

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(C2=NCCN2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C23H23FN6O/c24-18-5-1-3-16(13-18)8-10-26-21-19(6-7-20(30-21)22-27-11-12-28-22)23(31)29-15-17-4-2-9-25-14-17/h1-7,9,13-14H,8,10-12,15H2,(H,26,30)(H,27,28)(H,29,31)
InChIKeyKVIDIYQQHAKBJN-UHFFFAOYSA-N
MW418.48 g/mol
LogP2.55
Rot. Bonds8

About 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 59740961) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID59740961
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(C2=NCCN2)nc1NCCc1cccc(F)c1
InChIInChI=1S/C23H23FN6O/c24-18-5-1-3-16(13-18)8-10-26-21-19(6-7-20(30-21)22-27-11-12-28-22)23(31)29-15-17-4-2-9-25-14-17/h1-7,9,13-14H,8,10-12,15H2,(H,26,30)(H,27,28)(H,29,31)
InChIKeyKVIDIYQQHAKBJN-UHFFFAOYSA-N
XLogP2.55
TPSA91.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[2-(3-fluorophenyl)ethylamino]-5-N-(pyridin-3-ylmethyl)pyridine-2,5-dicarboxamide
CID 59738255
2-[2-(3-fluorophenyl)ethylamino]-6-prop-1-enyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 67198593
6-carbamimidoyl-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59738211
2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59738225
6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59738261
6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740865
6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylic acid;6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;pyridin-3-ylmethanamine;hydroiodide
CID 158680747
6-[(3R)-3-(dimethylcarbamoylamino)pyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740877
tert-butyl 4-[6-[2-(3-fluorophenyl)ethylamino]-5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]-3-oxopiperazine-1-carboxylate
CID 59740881
6-phenyl-2-(2-pyridin-2-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 25031781
6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473939
[3-[[[6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]-2-pyridinyl]-methylcarbamic acid
CID 87303277

Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 59740961) is 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1ccc(C2=NCCN2)nc1NCCc1cccc(F)c1.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KVIDIYQQHAKBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c24-18-5-1-3-16(13-18)8-10-26-21-19(6-7-20(30-21)22-27-11-12-28-22)23(31)29-15-17-4-2-9-25-14-17/h1-7,9,13-14H,8,10-12,15H2,(H,26,30)(H,27,28)(H,29,31).
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 2.55, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59740961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).