N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide

C10H13FN4O2 — CID 114034926

IUPACN-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(F)cnc1N
InChIInChI=1S/C10H13FN4O2/c1-6(16)13-2-3-14-10(17)8-4-7(11)5-15-9(8)12/h4-5H,2-3H2,1H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyCDTJSVZQAYCQQV-UHFFFAOYSA-N
MW240.24 g/mol
LogP-0.33
Rot. Bonds4

About N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide

N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide (PubChem CID 114034926) has the molecular formula C10H13FN4O2 and a molecular weight of 240.24 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide
PubChem CID114034926
Molecular FormulaC10H13FN4O2
Molecular Weight240.24 g/mol
Exact Mass240.10
IUPAC NameN-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc(F)cnc1N
InChIInChI=1S/C10H13FN4O2/c1-6(16)13-2-3-14-10(17)8-4-7(11)5-15-9(8)12/h4-5H,2-3H2,1H3,(H2,12,15)(H,13,16)(H,14,17)
InChIKeyCDTJSVZQAYCQQV-UHFFFAOYSA-N
XLogP-0.33
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291
2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-fluoropyridine-3-carboxamide
CID 106280114
2-amino-5-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-3-carboxamide
CID 114035047
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 106049941
2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 114035108
N-[2-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
CID 69198720
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
N-(2-acetamidoethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380387
2-amino-5-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)pyridine-3-carboxamide
CID 114035114
tert-butyl 2-amino-5-fluoropyridine-3-carboxylate
CID 133055354
2-amino-5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 62152701
5-fluoro-2-(methylamino)-N-(3-methylsulfinylpropyl)pyridine-3-carboxamide
CID 114035105

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide (CID 114034926) is N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide is CC(=O)NCCNC(=O)c1cc(F)cnc1N.
What is the InChIKey of N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide?
The InChIKey is CDTJSVZQAYCQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O2/c1-6(16)13-2-3-14-10(17)8-4-7(11)5-15-9(8)12/h4-5H,2-3H2,1H3,(H2,12,15)(H,13,16)(H,14,17).
What are the key properties of N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide?
N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide has a molecular weight of 240.24 g/mol, XLogP of -0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-amino-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 114034926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).