3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid

C14H14ClN3O2 — CID 107062918

IUPAC3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
SMILESCCc1cccnc1CNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C14H14ClN3O2/c1-2-9-4-3-6-16-11(9)8-18-13-12(15)10(14(19)20)5-7-17-13/h3-7H,2,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyTUAUUCUXMQSENC-UHFFFAOYSA-N
MW291.74 g/mol
LogP3.00
Rot. Bonds5

About 3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid

3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid (PubChem CID 107062918) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
PubChem CID107062918
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
SMILESCCc1cccnc1CNc1nccc(C(=O)O)c1Cl
InChIInChI=1S/C14H14ClN3O2/c1-2-9-4-3-6-16-11(9)8-18-13-12(15)10(14(19)20)5-7-17-13/h3-7H,2,8H2,1H3,(H,17,18)(H,19,20)
InChIKeyTUAUUCUXMQSENC-UHFFFAOYSA-N
XLogP3.00
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061814
3-chloro-2-[(2-methoxyphenyl)methylamino]pyridine-4-carboxylic acid
CID 107061768
3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 107062834
2-[(3-ethyl-2-pyridinyl)methylamino]-3-methylbenzoic acid
CID 107112351
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803
4-bromo-2-[(3-ethyl-2-pyridinyl)methylamino]benzoic acid
CID 114907475
3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethylpyrazin-2-amine
CID 82749017
3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106042704
3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061923
2-[(3-ethyl-2-pyridinyl)methylamino]-4-methoxybenzoic acid
CID 82735434
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
3-chloro-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carboxylic acid
CID 107062793

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid (CID 107062918) is 3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid is CCc1cccnc1CNc1nccc(C(=O)O)c1Cl.
What is the InChIKey of 3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is TUAUUCUXMQSENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-2-9-4-3-6-16-11(9)8-18-13-12(15)10(14(19)20)5-7-17-13/h3-7H,2,8H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid?
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 291.74 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 107062918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).