5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid

C14H15N3O3 — CID 114405610

IUPAC5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
SMILESCOc1cccc(CNc2nc(C(=O)O)ccc2N)c1
InChIInChI=1S/C14H15N3O3/c1-20-10-4-2-3-9(7-10)8-16-13-11(15)5-6-12(17-13)14(18)19/h2-7H,8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyKZJNRMUZFFWTFX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.98
Rot. Bonds5

About 5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid

5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 114405610) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID114405610
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid
SMILESCOc1cccc(CNc2nc(C(=O)O)ccc2N)c1
InChIInChI=1S/C14H15N3O3/c1-20-10-4-2-3-9(7-10)8-16-13-11(15)5-6-12(17-13)14(18)19/h2-7H,8,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyKZJNRMUZFFWTFX-UHFFFAOYSA-N
XLogP1.98
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-6-methylpyridine-2,3-diamine
CID 81131728
3-[(3-methoxyphenyl)methylamino]pyrazine-2-carboxylic acid
CID 62709440
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
6-N-[(3-methoxyphenyl)methyl]pyridine-2,3,6-triamine
CID 79826816
2-N-[(3-methoxyphenyl)methyl]-5-methylpyridine-2,3-diamine
CID 66279303
6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid
CID 122053549
6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
5-[(3-methoxyphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64630076
3-[(3-methoxyphenyl)methylamino]-2-methylbenzoic acid
CID 17059607
4-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 115730110

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid (CID 114405610) is 5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid is COc1cccc(CNc2nc(C(=O)O)ccc2N)c1.
What is the InChIKey of 5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is KZJNRMUZFFWTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-10-4-2-3-9(7-10)8-16-13-11(15)5-6-12(17-13)14(18)19/h2-7H,8,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid?
5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(3-methoxyphenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114405610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).