2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide

C14H22FN3O — CID 143746537

IUPAC2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide
SMILESCCCC(CC)[C@H](C)NC(=O)c1cc(N)nc(F)c1
InChIInChI=1S/C14H22FN3O/c1-4-6-10(5-2)9(3)17-14(19)11-7-12(15)18-13(16)8-11/h7-10H,4-6H2,1-3H3,(H2,16,18)(H,17,19)/t9-,10?/m0/s1
InChIKeyNDZAJHDOHLQDBC-RGURZIINSA-N
MW267.35 g/mol
LogP2.75
Rot. Bonds6

About 2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide

2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide (PubChem CID 143746537) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide
PubChem CID143746537
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide
SMILESCCCC(CC)[C@H](C)NC(=O)c1cc(N)nc(F)c1
InChIInChI=1S/C14H22FN3O/c1-4-6-10(5-2)9(3)17-14(19)11-7-12(15)18-13(16)8-11/h7-10H,4-6H2,1-3H3,(H2,16,18)(H,17,19)/t9-,10?/m0/s1
InChIKeyNDZAJHDOHLQDBC-RGURZIINSA-N
XLogP2.75
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide (CID 143746537) is 2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide is CCCC(CC)[C@H](C)NC(=O)c1cc(N)nc(F)c1.
What is the InChIKey of 2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide?
The InChIKey is NDZAJHDOHLQDBC-RGURZIINSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-4-6-10(5-2)9(3)17-14(19)11-7-12(15)18-13(16)8-11/h7-10H,4-6H2,1-3H3,(H2,16,18)(H,17,19)/t9-,10?/m0/s1.
What are the key properties of 2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide?
2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide has a molecular weight of 267.35 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-3-ethylhexan-2-yl]-6-fluoropyridine-4-carboxamide is sourced from PubChem (CID 143746537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).