1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

C12H14N2O2 — CID 117003157

IUPAC1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(Cc2ccncc2)CC1
InChIInChI=1S/C12H14N2O2/c15-12(16)11-3-7-14(8-4-11)9-10-1-5-13-6-2-10/h1-3,5-6H,4,7-9H2,(H,15,16)
InChIKeyGFKUEFTYYUXRKI-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.30
Rot. Bonds3

About 1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 117003157) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID117003157
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESO=C(O)C1=CCN(Cc2ccncc2)CC1
InChIInChI=1S/C12H14N2O2/c15-12(16)11-3-7-14(8-4-11)9-10-1-5-13-6-2-10/h1-3,5-6H,4,7-9H2,(H,15,16)
InChIKeyGFKUEFTYYUXRKI-UHFFFAOYSA-N
XLogP1.30
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-4-ylmethyl)piperidin-4-one
CID 10997815
ethyl 1-benzyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 787906
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]prop-2-en-1-one
CID 60953087
2-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 62823811
4-amino-1-(pyridin-4-ylmethyl)piperidine-4-carboxylic acid
CID 117011765
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]sulfonylacetic acid
CID 60948108
(3R,4R)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 143992061
2-oxo-1-(pyridin-4-ylmethyl)-3H-pyrrole-4-carboxylic acid
CID 83821857
1-benzyl-N-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 53051125
7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153410
2,2-difluoro-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 103515239

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 117003157) is 1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is O=C(O)C1=CCN(Cc2ccncc2)CC1.
What is the InChIKey of 1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is GFKUEFTYYUXRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-12(16)11-3-7-14(8-4-11)9-10-1-5-13-6-2-10/h1-3,5-6H,4,7-9H2,(H,15,16).
What are the key properties of 1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-4-ylmethyl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 117003157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).