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

C12H15N5O — CID 106104946

IUPAC3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCn1ccc(CCNC(=O)c2ncccc2N)n1
InChIInChI=1S/C12H15N5O/c1-17-8-5-9(16-17)4-7-15-12(18)11-10(13)3-2-6-14-11/h2-3,5-6,8H,4,7,13H2,1H3,(H,15,18)
InChIKeyYLKJICONUKEWPN-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.37
Rot. Bonds4

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

3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide (PubChem CID 106104946) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
PubChem CID106104946
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
SMILESCn1ccc(CCNC(=O)c2ncccc2N)n1
InChIInChI=1S/C12H15N5O/c1-17-8-5-9(16-17)4-7-15-12(18)11-10(13)3-2-6-14-11/h2-3,5-6,8H,4,7,13H2,1H3,(H,15,18)
InChIKeyYLKJICONUKEWPN-UHFFFAOYSA-N
XLogP0.37
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106104145
2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103789
3-amino-N-(2-pyrrol-1-ylethyl)pyridine-2-carboxamide
CID 114182681
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 114144108
4-amino-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-carboxamide
CID 106106388
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106375
3-amino-4-ethoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103818
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 175833533

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide (CID 106104946) is 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide is Cn1ccc(CCNC(=O)c2ncccc2N)n1.
What is the InChIKey of 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is YLKJICONUKEWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-8-5-9(16-17)4-7-15-12(18)11-10(13)3-2-6-14-11/h2-3,5-6,8H,4,7,13H2,1H3,(H,15,18).
What are the key properties of 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide?
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 106104946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).