2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide

C10H13FN4O3 — CID 106241159

IUPAC2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide
SMILESNC(=O)COCCNC(=O)c1ccnc(N)c1F
InChIInChI=1S/C10H13FN4O3/c11-8-6(1-2-14-9(8)13)10(17)15-3-4-18-5-7(12)16/h1-2H,3-5H2,(H2,12,16)(H2,13,14)(H,15,17)
InChIKeyZXANWWIBZVPKGI-UHFFFAOYSA-N
MW256.24 g/mol
LogP-0.97
Rot. Bonds6

About 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide

2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide (PubChem CID 106241159) has the molecular formula C10H13FN4O3 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide
PubChem CID106241159
Molecular FormulaC10H13FN4O3
Molecular Weight256.24 g/mol
Exact Mass256.10
IUPAC Name2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide
SMILESNC(=O)COCCNC(=O)c1ccnc(N)c1F
InChIInChI=1S/C10H13FN4O3/c11-8-6(1-2-14-9(8)13)10(17)15-3-4-18-5-7(12)16/h1-2H,3-5H2,(H2,12,16)(H2,13,14)(H,15,17)
InChIKeyZXANWWIBZVPKGI-UHFFFAOYSA-N
XLogP-0.97
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 106241316
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 106241241
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoropyridine-4-carboxamide
CID 103767645
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluorobenzamide
CID 106233330
2-amino-3-fluoro-N-(3-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105385347
2-amino-N-(cyclopropylmethyl)-3-fluoropyridine-4-carboxamide
CID 105384388
2-amino-3-fluoro-N-[3-oxo-3-(propan-2-ylamino)propyl]pyridine-4-carboxamide
CID 105387280
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-hydroxypyridine-2-carboxamide
CID 103819834
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloropyridine-4-carboxamide
CID 103767651
2,3-difluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105380129
5-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylbenzamide
CID 106233435
2-amino-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384706

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide (CID 106241159) is 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide is NC(=O)COCCNC(=O)c1ccnc(N)c1F.
What is the InChIKey of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is ZXANWWIBZVPKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O3/c11-8-6(1-2-14-9(8)13)10(17)15-3-4-18-5-7(12)16/h1-2H,3-5H2,(H2,12,16)(H2,13,14)(H,15,17).
What are the key properties of 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide?
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 256.24 g/mol, XLogP of -0.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 106241159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).