4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid

C12H14N4O2 — CID 114286357

IUPAC4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCC(Nc1ccnc(C(=O)O)c1)c1cnn(C)c1
InChIInChI=1S/C12H14N4O2/c1-8(9-6-14-16(2)7-9)15-10-3-4-13-11(5-10)12(17)18/h3-8H,1-2H3,(H,13,15)(H,17,18)
InChIKeySIPNWERWWQLKRX-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.69
Rot. Bonds4

About 4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid

4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid (PubChem CID 114286357) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid
PubChem CID114286357
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid
SMILESCC(Nc1ccnc(C(=O)O)c1)c1cnn(C)c1
InChIInChI=1S/C12H14N4O2/c1-8(9-6-14-16(2)7-9)15-10-3-4-13-11(5-10)12(17)18/h3-8H,1-2H3,(H,13,15)(H,17,18)
InChIKeySIPNWERWWQLKRX-UHFFFAOYSA-N
XLogP1.69
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114286400
4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 61477977
4-(1-hydroxypropan-2-ylamino)pyridine-2-carboxylic acid
CID 63265091
tert-butyl N-[3-[1-(1-methylpyrazol-4-yl)ethylamino]phenyl]carbamate
CID 107239819
4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carboxylic acid
CID 79250554
3-N,3-N,4-trimethyl-1-N-[1-(1-methylpyrazol-4-yl)ethyl]benzene-1,3-diamine
CID 115376804
3-[(2S)-butan-2-yl]oxy-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]aniline
CID 129367586
4-[(1-methylpyrazol-4-yl)methylsulfanyl]pyridine-2-carboxylic acid
CID 79555153
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
N-(4-acetylphenyl)-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210842
4-[1-(1-methylpyrazol-4-yl)ethylamino]-2-(trifluoromethyl)benzonitrile
CID 65484543
4-(4-methoxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 64606104

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid (CID 114286357) is 4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid is CC(Nc1ccnc(C(=O)O)c1)c1cnn(C)c1.
What is the InChIKey of 4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid?
The InChIKey is SIPNWERWWQLKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8(9-6-14-16(2)7-9)15-10-3-4-13-11(5-10)12(17)18/h3-8H,1-2H3,(H,13,15)(H,17,18).
What are the key properties of 4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid?
4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylpyrazol-4-yl)ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 114286357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).