N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide

C23H35FN4O — CID 176964762

IUPACN-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCC(C)(C)C1CCC(N2CCN(c3cnc(C(=O)NC4CC4)c(F)c3)CC2)C1
InChIInChI=1S/C23H35FN4O/c1-4-23(2,3)16-5-8-18(13-16)27-9-11-28(12-10-27)19-14-20(24)21(25-15-19)22(29)26-17-6-7-17/h14-18H,4-13H2,1-3H3,(H,26,29)
InChIKeyCLXPCKJTMQTXQD-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.84
Rot. Bonds6

About N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide

N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 176964762) has the molecular formula C23H35FN4O and a molecular weight of 402.56 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID176964762
Molecular FormulaC23H35FN4O
Molecular Weight402.56 g/mol
Exact Mass402.28
IUPAC NameN-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCCC(C)(C)C1CCC(N2CCN(c3cnc(C(=O)NC4CC4)c(F)c3)CC2)C1
InChIInChI=1S/C23H35FN4O/c1-4-23(2,3)16-5-8-18(13-16)27-9-11-28(12-10-27)19-14-20(24)21(25-15-19)22(29)26-17-6-7-17/h14-18H,4-13H2,1-3H3,(H,26,29)
InChIKeyCLXPCKJTMQTXQD-UHFFFAOYSA-N
XLogP3.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide (CID 176964762) is N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide is CCC(C)(C)C1CCC(N2CCN(c3cnc(C(=O)NC4CC4)c(F)c3)CC2)C1.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is CLXPCKJTMQTXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35FN4O/c1-4-23(2,3)16-5-8-18(13-16)27-9-11-28(12-10-27)19-14-20(24)21(25-15-19)22(29)26-17-6-7-17/h14-18H,4-13H2,1-3H3,(H,26,29).
What are the key properties of N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide?
N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 402.56 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-5-[4-[3-(2-methylbutan-2-yl)cyclopentyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 176964762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).