6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid

C14H18N2O2 — CID 114095896

IUPAC6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CNCC2(C3CC3)CC2)nc1
InChIInChI=1S/C14H18N2O2/c17-13(18)10-1-4-12(16-7-10)8-15-9-14(5-6-14)11-2-3-11/h1,4,7,11,15H,2-3,5-6,8-9H2,(H,17,18)
InChIKeyYHCYFKCXGZQZGR-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.06
Rot. Bonds6

About 6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid

6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 114095896) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid
PubChem CID114095896
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(CNCC2(C3CC3)CC2)nc1
InChIInChI=1S/C14H18N2O2/c17-13(18)10-1-4-12(16-7-10)8-15-9-14(5-6-14)11-2-3-11/h1,4,7,11,15H,2-3,5-6,8-9H2,(H,17,18)
InChIKeyYHCYFKCXGZQZGR-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[[(4-hydroxycyclohexyl)methylamino]methyl]pyridine-3-carboxylic acid
CID 106133497
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 115757840
4-[[(1-cyclopropylcyclobutyl)methylcarbamoylamino]methyl]benzoic acid
CID 122007556
6-[(1,2-oxazol-3-ylmethylamino)methyl]pyridine-3-carboxylic acid
CID 81177066
N-[(1-cyclopropylcyclopropyl)methyl]-1-(2-phenyltriazol-4-yl)methanamine
CID 103838747
6-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 71741681
2-[(1-cyclopropylcyclopropyl)methylcarbamoyl]pyridine-4-carboxylic acid
CID 122056076
1-(6-bromo-2-pyridinyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 103953751
N-[(1-cyclopropylcyclopropyl)methyl]-1-pyridin-3-ylmethanamine
CID 115757833
6-[(2-ethylhexylamino)methyl]pyridine-3-carboxylic acid
CID 107816753
6-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid
CID 113405119
6-[[2-[2-(dimethylamino)ethoxy]ethylamino]methyl]pyridine-3-carboxylic acid
CID 114127595

Frequently Asked Questions

What is the IUPAC name of 6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid (CID 114095896) is 6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(CNCC2(C3CC3)CC2)nc1.
What is the InChIKey of 6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is YHCYFKCXGZQZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(18)10-1-4-12(16-7-10)8-15-9-14(5-6-14)11-2-3-11/h1,4,7,11,15H,2-3,5-6,8-9H2,(H,17,18).
What are the key properties of 6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid?
6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 246.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1-cyclopropylcyclopropyl)methylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114095896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).