N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide

C12H18FN3O — CID 71562767

IUPACN-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc([18F])ccn1
InChIInChI=1S/C12H18FN3O/c1-3-16(4-2)8-7-15-12(17)11-9-10(13)5-6-14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)/i13-1
InChIKeySMBSFQGSUTVNNH-HSGWXFLFSA-N
MW238.30 g/mol
LogP1.29
Rot. Bonds6

About N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide

N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide (PubChem CID 71562767) has the molecular formula C12H18FN3O and a molecular weight of 238.30 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide
PubChem CID71562767
Molecular FormulaC12H18FN3O
Molecular Weight238.30 g/mol
Exact Mass238.15
IUPAC NameN-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc([18F])ccn1
InChIInChI=1S/C12H18FN3O/c1-3-16(4-2)8-7-15-12(17)11-9-10(13)5-6-14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)/i13-1
InChIKeySMBSFQGSUTVNNH-HSGWXFLFSA-N
XLogP1.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide (CID 71562767) is N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide is CCN(CC)CCNC(=O)c1cc([18F])ccn1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide?
The InChIKey is SMBSFQGSUTVNNH-HSGWXFLFSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-3-16(4-2)8-7-15-12(17)11-9-10(13)5-6-14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,15,17)/i13-1.
What are the key properties of N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide?
N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide has a molecular weight of 238.30 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(18F)fluoropyridine-2-carboxamide is sourced from PubChem (CID 71562767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).