N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide

C13H20FN3O — CID 115646512

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1ccncc1F
InChIInChI=1S/C13H20FN3O/c1-9(2)12(8-17(3)4)16-13(18)10-5-6-15-7-11(10)14/h5-7,9,12H,8H2,1-4H3,(H,16,18)
InChIKeyLCMAMECBFJSBHA-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.54
Rot. Bonds5

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide (PubChem CID 115646512) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
PubChem CID115646512
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)C(CN(C)C)NC(=O)c1ccncc1F
InChIInChI=1S/C13H20FN3O/c1-9(2)12(8-17(3)4)16-13(18)10-5-6-15-7-11(10)14/h5-7,9,12H,8H2,1-4H3,(H,16,18)
InChIKeyLCMAMECBFJSBHA-UHFFFAOYSA-N
XLogP1.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-hydroxypyridine-4-carboxamide
CID 81442678
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 103274823
N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646514
N-(5-bromopentan-2-yl)-3-fluoropyridine-4-carboxamide
CID 114316575
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-(ethylamino)-3-fluoropyridine-4-carboxamide
CID 105385519
2-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 61479880
N-[1-(dimethylamino)-3-methylbutan-2-yl]-2-sulfanylbenzamide
CID 107025299
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
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
4-amino-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 82950592

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide (CID 115646512) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide is CC(C)C(CN(C)C)NC(=O)c1ccncc1F.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide?
The InChIKey is LCMAMECBFJSBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-9(2)12(8-17(3)4)16-13(18)10-5-6-15-7-11(10)14/h5-7,9,12H,8H2,1-4H3,(H,16,18).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide has a molecular weight of 253.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 115646512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).