N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide

C15H25FN4O — CID 103191115

IUPACN-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(CC)C(C)CN(C)C)c1F
InChIInChI=1S/C15H25FN4O/c1-6-17-14-13(16)12(8-9-18-14)15(21)20(7-2)11(3)10-19(4)5/h8-9,11H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyLJYMXWDNYUEMQF-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.06
Rot. Bonds7

About N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide (PubChem CID 103191115) has the molecular formula C15H25FN4O and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
PubChem CID103191115
Molecular FormulaC15H25FN4O
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
SMILESCCNc1nccc(C(=O)N(CC)C(C)CN(C)C)c1F
InChIInChI=1S/C15H25FN4O/c1-6-17-14-13(16)12(8-9-18-14)15(21)20(7-2)11(3)10-19(4)5/h8-9,11H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyLJYMXWDNYUEMQF-UHFFFAOYSA-N
XLogP2.06
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-3-fluoro-N-propan-2-yl-N-propylpyridine-4-carboxamide
CID 105384784
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105385519
2-(ethylamino)-3-fluoro-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105387232
N-butan-2-yl-N-ethyl-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388218
N-(2-cyanoethyl)-2-(ethylamino)-3-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 105385760
2-(ethylamino)-3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105385257
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(methylamino)pyridine-3-carboxamide
CID 103191074
N-(cyclopropylmethyl)-2-(ethylamino)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385151
N-cyclopentyl-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105384908
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)benzamide
CID 103190086
N,N-bis(cyclopropylmethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105386485
N-(2,2-difluoroethyl)-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105387079

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide (CID 103191115) is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide is CCNc1nccc(C(=O)N(CC)C(C)CN(C)C)c1F.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
The InChIKey is LJYMXWDNYUEMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4O/c1-6-17-14-13(16)12(8-9-18-14)15(21)20(7-2)11(3)10-19(4)5/h8-9,11H,6-7,10H2,1-5H3,(H,17,18).
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide?
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(ethylamino)-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 103191115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).