3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide

C13H17N5O — CID 105070790

IUPAC3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C13H17N5O/c1-14-12-8-15-5-4-11(12)13(19)16-6-3-10-7-17-18(2)9-10/h4-5,7-9,14H,3,6H2,1-2H3,(H,16,19)
InChIKeyGXRZIHZYQLZKBG-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.83
Rot. Bonds5

About 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide

3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide (PubChem CID 105070790) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
PubChem CID105070790
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C13H17N5O/c1-14-12-8-15-5-4-11(12)13(19)16-6-3-10-7-17-18(2)9-10/h4-5,7-9,14H,3,6H2,1-2H3,(H,16,19)
InChIKeyGXRZIHZYQLZKBG-UHFFFAOYSA-N
XLogP0.83
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81234341
2-hydrazinyl-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 80686591
4-(methylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81242442
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-sulfanylbenzamide
CID 107032871
N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 47381471
3-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106408858
4-chloro-2-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 112731782
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 80691532
3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 114138605
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide (CID 105070790) is 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide is CNc1cnccc1C(=O)NCCc1cnn(C)c1.
What is the InChIKey of 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is GXRZIHZYQLZKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-14-12-8-15-5-4-11(12)13(19)16-6-3-10-7-17-18(2)9-10/h4-5,7-9,14H,3,6H2,1-2H3,(H,16,19).
What are the key properties of 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide?
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 105070790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).