6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide

C23H23FN4O3 — CID 174478722

IUPAC6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3cc(C(=O)NC4CC4)cc(F)c3CN)nc2)o1
InChIInChI=1S/C23H23FN4O3/c1-13-2-6-17(31-13)12-27-22(29)14-3-7-21(26-11-14)18-8-15(9-20(24)19(18)10-25)23(30)28-16-4-5-16/h2-3,6-9,11,16H,4-5,10,12,25H2,1H3,(H,27,29)(H,28,30)
InChIKeyRYFSDTILLPOYEW-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.07
Rot. Bonds7

About 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide

6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 174478722) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
PubChem CID174478722
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1ccc(CNC(=O)c2ccc(-c3cc(C(=O)NC4CC4)cc(F)c3CN)nc2)o1
InChIInChI=1S/C23H23FN4O3/c1-13-2-6-17(31-13)12-27-22(29)14-3-7-21(26-11-14)18-8-15(9-20(24)19(18)10-25)23(30)28-16-4-5-16/h2-3,6-9,11,16H,4-5,10,12,25H2,1H3,(H,27,29)(H,28,30)
InChIKeyRYFSDTILLPOYEW-UHFFFAOYSA-N
XLogP3.07
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]pyridine-3-carboxylic acid
CID 150226068
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentylpyridine-3-carboxamide
CID 135283535
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-pentan-3-ylpyridine-3-carboxamide
CID 68680738
6-(methylamino)-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 62523594
4-fluoro-3-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 63213507
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-5-fluoro-4-methylbenzamide
CID 58919696
6-[[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]methyl]-N-(1-methylcyclopentyl)pyridine-3-carboxamide
CID 90899545
4-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731652
3-(5-amino-4-methyl-2-pyridinyl)-N-cyclopropyl-4-methylbenzamide
CID 58919712
3,4-dichloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731633
3-fluoro-4-[(5-methylfuran-2-yl)methylcarbamoylamino]benzoic acid
CID 63187949
5-carbamothioyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63749387

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide (CID 174478722) is 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide is Cc1ccc(CNC(=O)c2ccc(-c3cc(C(=O)NC4CC4)cc(F)c3CN)nc2)o1.
What is the InChIKey of 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is RYFSDTILLPOYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-13-2-6-17(31-13)12-27-22(29)14-3-7-21(26-11-14)18-8-15(9-20(24)19(18)10-25)23(30)28-16-4-5-16/h2-3,6-9,11,16H,4-5,10,12,25H2,1H3,(H,27,29)(H,28,30).
What are the key properties of 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide?
6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)-5-(cyclopropylcarbamoyl)-3-fluorophenyl]-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 174478722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).