N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide

C13H20FN3O — CID 115646514

IUPACN-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCCN(CC)CC(C)NC(=O)c1ccncc1F
InChIInChI=1S/C13H20FN3O/c1-4-17(5-2)9-10(3)16-13(18)11-6-7-15-8-12(11)14/h6-8,10H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyFDHLPRYBTXNWTE-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.68
Rot. Bonds6

About N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide

N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 115646514) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
PubChem CID115646514
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC NameN-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCCN(CC)CC(C)NC(=O)c1ccncc1F
InChIInChI=1S/C13H20FN3O/c1-4-17(5-2)9-10(3)16-13(18)11-6-7-15-8-12(11)14/h6-8,10H,4-5,9H2,1-3H3,(H,16,18)
InChIKeyFDHLPRYBTXNWTE-UHFFFAOYSA-N
XLogP1.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
CID 104929706
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646512
N-(1-anilinopropan-2-yl)-3-fluoropyridine-4-carboxamide
CID 71849163
N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide
CID 126977624
N-[1-(dimethylamino)propan-2-yl]-4-(methylamino)pyridine-3-carboxamide
CID 82949883
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
N-[2-[ethyl(propyl)amino]ethyl]-3-fluoropyridine-4-carboxamide
CID 113247671
N-[1-(diethylamino)propan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 103829876
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 103274823
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
N-[1-(dimethylamino)propan-2-yl]-3-hydrazinylpyridine-4-carboxamide
CID 105072402

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide (CID 115646514) is N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide is CCN(CC)CC(C)NC(=O)c1ccncc1F.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is FDHLPRYBTXNWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-4-17(5-2)9-10(3)16-13(18)11-6-7-15-8-12(11)14/h6-8,10H,4-5,9H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide?
N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 253.32 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115646514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).