2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid

C15H15N3O3 — CID 114326175

IUPAC2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
SMILESNCc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)ccn1
InChIInChI=1S/C15H15N3O3/c16-9-13-8-11(5-6-17-13)15(21)18-12-3-1-10(2-4-12)7-14(19)20/h1-6,8H,7,9,16H2,(H,18,21)(H,19,20)
InChIKeyRNNJEPIYNBYODN-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.42
Rot. Bonds5

About 2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid

2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid (PubChem CID 114326175) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
PubChem CID114326175
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
SMILESNCc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)ccn1
InChIInChI=1S/C15H15N3O3/c16-9-13-8-11(5-6-17-13)15(21)18-12-3-1-10(2-4-12)7-14(19)20/h1-6,8H,7,9,16H2,(H,18,21)(H,19,20)
InChIKeyRNNJEPIYNBYODN-UHFFFAOYSA-N
XLogP1.42
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[4-(2-amino-2-oxoethyl)phenyl]pyridine-4-carboxamide
CID 114325839
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 114325497
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
2-(aminomethyl)-N-(4-butan-2-ylphenyl)pyridine-4-carboxamide
CID 114325764
2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 114326705
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid
CID 110488449
N-[4-(2-amino-2-sulfanylideneethyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106753009
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
2-(aminomethyl)-N-(2-methyl-1H-indol-5-yl)pyridine-4-carboxamide
CID 112526138
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
CID 114326804

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid (CID 114326175) is 2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid is NCc1cc(C(=O)Nc2ccc(CC(=O)O)cc2)ccn1.
What is the InChIKey of 2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid?
The InChIKey is RNNJEPIYNBYODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-9-13-8-11(5-6-17-13)15(21)18-12-3-1-10(2-4-12)7-14(19)20/h1-6,8H,7,9,16H2,(H,18,21)(H,19,20).
What are the key properties of 2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid?
2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 114326175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).