2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide

C13H15N5O — CID 79285864

IUPAC2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESC=CCNCC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C13H15N5O/c1-2-6-14-10-13(19)17-11-4-5-12(15-9-11)18-8-3-7-16-18/h2-5,7-9,14H,1,6,10H2,(H,17,19)
InChIKeyQRNCNFYIVXKSSA-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.98
Rot. Bonds6

About 2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide

2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide (PubChem CID 79285864) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
PubChem CID79285864
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
SMILESC=CCNCC(=O)Nc1ccc(-n2cccn2)nc1
InChIInChI=1S/C13H15N5O/c1-2-6-14-10-13(19)17-11-4-5-12(15-9-11)18-8-3-7-16-18/h2-5,7-9,14H,1,6,10H2,(H,17,19)
InChIKeyQRNCNFYIVXKSSA-UHFFFAOYSA-N
XLogP0.98
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
2-(cyclopropylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 60841807
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25333573
3,4-dimethyl-N-[2-oxo-2-[(6-pyrazol-1-yl-3-pyridinyl)amino]ethyl]benzamide
CID 75523152
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide
CID 90564944
2-(2,4-dimethylquinolin-3-yl)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 25337090
2-(prop-2-enylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 79285571
2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate
CID 65168775
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
CID 119842771

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide (CID 79285864) is 2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide is C=CCNCC(=O)Nc1ccc(-n2cccn2)nc1.
What is the InChIKey of 2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide?
The InChIKey is QRNCNFYIVXKSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-6-14-10-13(19)17-11-4-5-12(15-9-11)18-8-3-7-16-18/h2-5,7-9,14H,1,6,10H2,(H,17,19).
What are the key properties of 2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide?
2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide has a molecular weight of 257.30 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 79285864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).