2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide

C13H17N5O2 — CID 114325867

IUPAC2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
SMILESCOCCn1cc(NC(=O)c2ccnc(CN)c2)cn1
InChIInChI=1S/C13H17N5O2/c1-20-5-4-18-9-12(8-16-18)17-13(19)10-2-3-15-11(6-10)7-14/h2-3,6,8-9H,4-5,7,14H2,1H3,(H,17,19)
InChIKeyYDIBAKFDAZGALB-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.64
Rot. Bonds6

About 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide

2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide (PubChem CID 114325867) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
PubChem CID114325867
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
SMILESCOCCn1cc(NC(=O)c2ccnc(CN)c2)cn1
InChIInChI=1S/C13H17N5O2/c1-20-5-4-18-9-12(8-16-18)17-13(19)10-2-3-15-11(6-10)7-14/h2-3,6,8-9H,4-5,7,14H2,1H3,(H,17,19)
InChIKeyYDIBAKFDAZGALB-UHFFFAOYSA-N
XLogP0.64
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(bromomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 102851174
N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 61067363
2,6-dihydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 103749044
4-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methylpyridine-3-carboxamide
CID 81240834
2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 107074926
2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 61052437
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 66377447
2-chloro-N-(1-ethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35277482
5-hydrazinyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 107377908
3-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide
CID 66482554
(2R)-2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]propanamide;hydrochloride
CID 119292252

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide (CID 114325867) is 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide is COCCn1cc(NC(=O)c2ccnc(CN)c2)cn1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide?
The InChIKey is YDIBAKFDAZGALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-20-5-4-18-9-12(8-16-18)17-13(19)10-2-3-15-11(6-10)7-14/h2-3,6,8-9H,4-5,7,14H2,1H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 114325867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).