2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid

C13H18N2O3 — CID 114198851

IUPAC2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CNCCOCC1CC1
InChIInChI=1S/C13H18N2O3/c16-13(17)11-2-1-5-15-12(11)8-14-6-7-18-9-10-3-4-10/h1-2,5,10,14H,3-4,6-9H2,(H,16,17)
InChIKeySPWIUMAKECFGQR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.30
Rot. Bonds8

About 2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid

2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid (PubChem CID 114198851) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid
PubChem CID114198851
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1CNCCOCC1CC1
InChIInChI=1S/C13H18N2O3/c16-13(17)11-2-1-5-15-12(11)8-14-6-7-18-9-10-3-4-10/h1-2,5,10,14H,3-4,6-9H2,(H,16,17)
InChIKeySPWIUMAKECFGQR-UHFFFAOYSA-N
XLogP1.30
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2,2,3,3-tetrafluoropropylamino)methyl]pyridine-3-carboxylic acid
CID 114198906
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198751
2-[[(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]pyridine-3-carboxylic acid
CID 114198904
2-[2-[(3-methyl-2-pyridinyl)methylamino]ethoxy]acetamide
CID 106238176
2-(aminooxymethyl)pyridine-3-carboxylic acid
CID 127018679
2-(chloromethyl)pyridine-3-carboxylic acid
CID 19829123
2-(cyclopropylmethoxy)-N-(furan-2-ylmethyl)ethanamine
CID 62599394
2-[2-(cyclopropylmethoxy)ethylamino]-5-fluorobenzoic acid
CID 114098784
methyl 2-[[(3-methoxy-3-oxopropyl)amino]methyl]pyridine-3-carboxylate
CID 114198641
N-[(6-chloro-3-pyridinyl)methyl]-2-(cyclopropylmethoxy)ethanamine
CID 115683686
2-(2-acetyloxyethyl)pyridine-3-carboxylic acid
CID 166055626
2-(cyclopropylmethoxy)-N-[(4-fluorophenyl)methyl]ethanamine
CID 103653259

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid (CID 114198851) is 2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1CNCCOCC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid?
The InChIKey is SPWIUMAKECFGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-13(17)11-2-1-5-15-12(11)8-14-6-7-18-9-10-3-4-10/h1-2,5,10,14H,3-4,6-9H2,(H,16,17).
What are the key properties of 2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid?
2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethoxy)ethylamino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114198851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).