N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

C23H29FN4O2 — CID 3207265

IUPACN-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O2/c1-4-23(2,3)26-21(29)16-28(19-10-8-18(24)9-11-19)22(30)17-7-12-20(25-15-17)27-13-5-6-14-27/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,26,29)
InChIKeyFFXUQBVUOFXLFY-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.77
Rot. Bonds7

About N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 3207265) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID3207265
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC NameN-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O2/c1-4-23(2,3)26-21(29)16-28(19-10-8-18(24)9-11-19)22(30)17-7-12-20(25-15-17)27-13-5-6-14-27/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,26,29)
InChIKeyFFXUQBVUOFXLFY-UHFFFAOYSA-N
XLogP3.77
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 3207265) is N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is CCC(C)(C)NC(=O)CN(C(=O)c1ccc(N2CCCC2)nc1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is FFXUQBVUOFXLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-4-23(2,3)26-21(29)16-28(19-10-8-18(24)9-11-19)22(30)17-7-12-20(25-15-17)27-13-5-6-14-27/h7-12,15H,4-6,13-14,16H2,1-3H3,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 3207265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).