6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid

C15H15N3O2 — CID 122047885

IUPAC6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N(Cc2cccnc2)C2CC2)n1
InChIInChI=1S/C15H15N3O2/c19-15(20)13-4-1-5-14(17-13)18(12-6-7-12)10-11-3-2-8-16-9-11/h1-5,8-9,12H,6-7,10H2,(H,19,20)
InChIKeyZLWFRYIYLSDNPV-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.34
Rot. Bonds5

About 6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid

6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid (PubChem CID 122047885) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid
PubChem CID122047885
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N(Cc2cccnc2)C2CC2)n1
InChIInChI=1S/C15H15N3O2/c19-15(20)13-4-1-5-14(17-13)18(12-6-7-12)10-11-3-2-8-16-9-11/h1-5,8-9,12H,6-7,10H2,(H,19,20)
InChIKeyZLWFRYIYLSDNPV-UHFFFAOYSA-N
XLogP2.34
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-aminophenyl)methyl-cyclopropylamino]pyridine-2-carboxamide
CID 64588996
6-[2-hydroxyethyl(oxan-4-yl)amino]pyridine-2-carboxylic acid
CID 122055732
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053589
4-[cyclopropyl(pyridin-3-ylmethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497568
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
2-anilino-N-cyclopropyl-N-(pyridin-3-ylmethyl)acetamide
CID 60937842
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
2-methyl-6-[methyl(pyridin-3-ylmethyl)carbamoyl]pyridine-3-carboxylic acid
CID 43563869
3-cyclopentyl-1-cyclopropyl-1-(pyridin-3-ylmethyl)urea
CID 71937848
4-amino-N-cyclopropyl-N-(pyridin-3-ylmethyl)butanamide
CID 54869888
2-hydroxyethyl N-cyclopropyl-N-(pyridin-3-ylmethyl)carbamate
CID 79346079

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid (CID 122047885) is 6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(N(Cc2cccnc2)C2CC2)n1.
What is the InChIKey of 6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is ZLWFRYIYLSDNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)13-4-1-5-14(17-13)18(12-6-7-12)10-11-3-2-8-16-9-11/h1-5,8-9,12H,6-7,10H2,(H,19,20).
What are the key properties of 6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid?
6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(pyridin-3-ylmethyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122047885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).