3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide

C11H13N5O — CID 114159645

IUPAC3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1N)c1cn[nH]c1
InChIInChI=1S/C11H13N5O/c1-7(8-4-14-15-5-8)16-11(17)9-2-3-13-6-10(9)12/h2-7H,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyWBGINOOGPDYLPM-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.88
Rot. Bonds3

About 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide

3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114159645) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
PubChem CID114159645
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1N)c1cn[nH]c1
InChIInChI=1S/C11H13N5O/c1-7(8-4-14-15-5-8)16-11(17)9-2-3-13-6-10(9)12/h2-7H,12H2,1H3,(H,14,15)(H,16,17)
InChIKeyWBGINOOGPDYLPM-UHFFFAOYSA-N
XLogP0.88
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208042
5-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114158282
3-amino-2-chloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 114158286
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81240748
3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071212
2,3-difluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856738
2-chloro-4-fluoro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103855757
6-amino-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 106208056
2-bromo-5-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856637
5-amino-2-fluoro-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106208086
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide (CID 114159645) is 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1N)c1cn[nH]c1.
What is the InChIKey of 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is WBGINOOGPDYLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-7(8-4-14-15-5-8)16-11(17)9-2-3-13-6-10(9)12/h2-7H,12H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide?
3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114159645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).