N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide

C15H25FN4O — CID 105384494

IUPACN-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCCN(CC)CC)c1F
InChIInChI=1S/C15H25FN4O/c1-4-17-14-13(16)12(8-10-18-14)15(21)19-9-7-11-20(5-2)6-3/h8,10H,4-7,9,11H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyNTOJBYLAZBNKGJ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.11
Rot. Bonds9

About N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide

N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide (PubChem CID 105384494) has the molecular formula C15H25FN4O and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
PubChem CID105384494
Molecular FormulaC15H25FN4O
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC NameN-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)NCCCN(CC)CC)c1F
InChIInChI=1S/C15H25FN4O/c1-4-17-14-13(16)12(8-10-18-14)15(21)19-9-7-11-20(5-2)6-3/h8,10H,4-7,9,11H2,1-3H3,(H,17,18)(H,19,21)
InChIKeyNTOJBYLAZBNKGJ-UHFFFAOYSA-N
XLogP2.11
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.11
H-Bond Donors ≤ 52
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-(diethylamino)ethyl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105387949
2-(ethylamino)-3-fluoro-N-(4-methoxybutyl)pyridine-4-carboxamide
CID 105385379
2-(ethylamino)-3-fluoro-N-(3-propoxypropyl)pyridine-4-carboxamide
CID 105387150
2-(ethylamino)-3-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 105384707
2-(ethylamino)-3-fluoro-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105386164
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079
2-(ethylamino)-3-fluoro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 105386972
2-(ethylamino)-3-fluoro-N-(2-pyrrolidin-1-ylethyl)pyridine-4-carboxamide
CID 105386049
2-(ethylamino)-3-fluoro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 105384864
2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 105386389
2-(ethylamino)-3-fluoro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385395
N-[2-(tert-butylamino)-2-oxoethyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387072

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide (CID 105384494) is N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide is CCNc1nccc(C(=O)NCCCN(CC)CC)c1F.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The InChIKey is NTOJBYLAZBNKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4O/c1-4-17-14-13(16)12(8-10-18-14)15(21)19-9-7-11-20(5-2)6-3/h8,10H,4-7,9,11H2,1-3H3,(H,17,18)(H,19,21).
What are the key properties of N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 105384494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).