4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid

C15H15N3O3 — CID 60977524

IUPAC4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)c1ncccc1C(N)=O
InChIInChI=1S/C15H15N3O3/c1-18(14-12(13(16)19)3-2-8-17-14)9-10-4-6-11(7-5-10)15(20)21/h2-8H,9H2,1H3,(H2,16,19)(H,20,21)
InChIKeyHMOONBFUYVAMNZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.52
Rot. Bonds5

About 4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid

4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid (PubChem CID 60977524) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid
PubChem CID60977524
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)c1ncccc1C(N)=O
InChIInChI=1S/C15H15N3O3/c1-18(14-12(13(16)19)3-2-8-17-14)9-10-4-6-11(7-5-10)15(20)21/h2-8H,9H2,1H3,(H2,16,19)(H,20,21)
InChIKeyHMOONBFUYVAMNZ-UHFFFAOYSA-N
XLogP1.52
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
4-[(2-carbamoyl-N-methylanilino)methyl]benzoic acid
CID 60979283
1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
CID 103721785
2-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbothioamide
CID 43563703
2-[methyl-[(1-methyltriazol-4-yl)methyl]amino]pyridine-3-carboxylic acid
CID 167844227
2-[methyl-[(1-methylcyclopropyl)methyl]amino]pyridine-3-carboxamide
CID 174891136
3-fluoro-2-[(4-fluorophenyl)methyl-methylamino]pyridine-4-carboxylic acid
CID 105382002
tert-butyl N-[2-[(3-carbamoyl-2-pyridinyl)-methylamino]ethyl]-N-methylcarbamate
CID 141414305
4-[[carbamoyl(methyl)amino]methyl]benzoic acid
CID 23550089
2-[(3-bromophenyl)methyl-methylamino]pyridine-3-carbothioamide
CID 61416167
2-[2-hydroxypropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62335652
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridine-3-carbothioamide
CID 61442220

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid?
The IUPAC name of 4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid (CID 60977524) is 4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)c1ncccc1C(N)=O.
What is the InChIKey of 4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid?
The InChIKey is HMOONBFUYVAMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-18(14-12(13(16)19)3-2-8-17-14)9-10-4-6-11(7-5-10)15(20)21/h2-8H,9H2,1H3,(H2,16,19)(H,20,21).
What are the key properties of 4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid?
4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid has a molecular weight of 285.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid is sourced from PubChem (CID 60977524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).