2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid

C24H26N2O3 — CID 59830904

IUPAC2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid
SMILESCCCCc1ccc(CN)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H26N2O3/c1-2-3-6-20-14-13-19(15-25)23(27)26(20)16-17-9-11-18(12-10-17)21-7-4-5-8-22(21)24(28)29/h4-5,7-14H,2-3,6,15-16,25H2,1H3,(H,28,29)
InChIKeyCNJDZLASPBWFSA-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.06
Rot. Bonds8

About 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid

2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid (PubChem CID 59830904) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid
PubChem CID59830904
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid
SMILESCCCCc1ccc(CN)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C24H26N2O3/c1-2-3-6-20-14-13-19(15-25)23(27)26(20)16-17-9-11-18(12-10-17)21-7-4-5-8-22(21)24(28)29/h4-5,7-14H,2-3,6,15-16,25H2,1H3,(H,28,29)
InChIKeyCNJDZLASPBWFSA-UHFFFAOYSA-N
XLogP4.06
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid with MolForge

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Related Compounds

3-(aminomethyl)-6-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-one
CID 19012384
2-[4-[(3-acetamido-6-butyl-4-hydroxy-2-oxo-1-pyridinyl)methyl]phenyl]benzoic acid
CID 67870795
2-[4-[[6-butyl-3-(hydroxymethyl)-2-oxo-1-pyridinyl]methyl]phenyl]benzonitrile
CID 19012411
sodium 2-[4-[(6-butyl-2-oxo-3-phenylmethoxycarbonyl-1-pyridinyl)methyl]phenyl]benzoate
CID 67906459
2-[4-[(3-butan-2-yl-5-butyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19740399
2-[4-[(3-benzyl-5-hexyl-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19741024
2-[4-[(3-benzyl-5-butyl-4-fluoro-2-oxoimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19740080
2-[4-[(5-butylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 10449557
2-[4-[[5-butyl-4-(fluoromethyl)-2-oxo-3-pentylimidazol-1-yl]methyl]phenyl]benzoic acid
CID 19741148
2-[4-[[3-butyl-5-oxo-1-(2-phenylethyl)-1,2,4-triazol-4-yl]methyl]phenyl]benzoic acid
CID 90812924
2-[4-[(5-butyl-4-methyl-2-oxo-3-pentanoylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19740351
N-[[6-butyl-1-[[4-(2-cyanophenyl)phenyl]methyl]-2-oxo-3-pyridinyl]methyl]butanamide
CID 19012299

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid (CID 59830904) is 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid is CCCCc1ccc(CN)c(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid?
The InChIKey is CNJDZLASPBWFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-2-3-6-20-14-13-19(15-25)23(27)26(20)16-17-9-11-18(12-10-17)21-7-4-5-8-22(21)24(28)29/h4-5,7-14H,2-3,6,15-16,25H2,1H3,(H,28,29).
What are the key properties of 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid?
2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid has a molecular weight of 390.48 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(aminomethyl)-6-butyl-2-oxo-1-pyridinyl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 59830904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).